@prefix co: .
@prefix compound: .
@prefix cosc: .
@prefix csc: .
@prefix cscl: .
@prefix dbo: .
@prefix dbp: .
@prefix dc: .
@prefix dct: .
@prefix list: .
@prefix omg_dataset: .
@prefix rdf: .
@prefix rdfs: .
@prefix skos: .
@prefix tax_nodes: .
@prefix vcs: .
@prefix vlcs: .
@prefix wise: .
@prefix wk: .
@prefix xkos: .
@prefix xsd: .
csc:WGTYBPLFGIVFAS-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:60966 ;
dbo:casNumber "104422-11-9" , "105468-35-7" , "154636-59-6" , "75-59-2" , "129654-61-1" , "78017-87-5" , "93615-68-0" ;
dbo:formula "C4H13NO" ;
dbo:inchi "InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1" ;
dbo:iupacName "tetramethylazanium hydroxide"@en ;
dbo:pubchem "60966"^^xsd:int ;
dbo:smiles "C[N+](C)(C)C.[OH-]" ;
dbp:inchikey "InChIKey=WGTYBPLFGIVFAS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "tetramethylammoniumhydroxide"@nl .
csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7296 ;
dbo:casNumber "5310-57-6" , "96-37-7" ;
dbo:formula "C6H12" ;
dbo:inchi "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "Methylcyclopentane"@en ;
dbo:pubchem "7296"^^xsd:int ;
dbo:smiles "CC1CCCC1" ;
dbp:inchikey "InChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC5a" ;
skos:prefLabel "methylcyclopentaan"@nl .
csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12391 ;
dbo:casNumber "629-62-9" ;
dbo:formula "C15H32" ;
dbo:inchi "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3" ;
dbo:iupacName "Pentadecane"@en ;
dbo:pubchem "12391"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=YCOZIPAWZNQLMR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC15a" ;
skos:prefLabel "n-pentadecaan"@nl .
csc:QEFYFXOXNSNQGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23934 ;
dbo:casNumber "7440-00-8" , "42320-27-4" , "110123-51-8" ;
dbo:formula "Nd" ;
dbo:inchi "InChI=1S/Nd" ;
dbo:iupacName "NEODYMIUM"@en ;
dbo:pubchem "23934"^^xsd:int ;
dbo:smiles "[Nd]" ;
dbp:inchikey "InChIKey=QEFYFXOXNSNQGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nd" ;
skos:prefLabel "neodymium"@nl .
csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40471 ;
dbo:casNumber "52663-63-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40471"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UHCLFIWDCYOTOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB151" ;
skos:prefLabel "2,2',3,5,5',6-hexachloorbifenyl"@nl .
csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22833 ;
dbo:casNumber "6358-64-1" ;
dbo:formula "C8H10ClNO2" ;
dbo:inchi "InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3" ;
dbo:iupacName "4-Chloro-2,5-dimethoxyaniline"@en ;
dbo:pubchem "22833"^^xsd:int ;
dbo:smiles "COC1=CC(=C(C=C1N)OC)Cl" ;
dbp:inchikey "InChIKey=YGUFQYGSBVXPMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2,5-dimethoxy-4-chlooraniline"@nl .
csc:JJWIOXUMXIOXQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67526 ;
dbo:casNumber "295-65-8" ;
dbo:formula "C16H32" ;
dbo:inchi "InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2" ;
dbo:iupacName "Cyclohexadecane"@en ;
dbo:pubchem "67526"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCCCCCC1" ;
dbp:inchikey "InChIKey=JJWIOXUMXIOXQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC16a" ;
skos:prefLabel "cyclohexadecaan"@nl .
csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:120675 ;
dbo:casNumber "459-02-9" , "459-01-8" ;
dbo:formula "C9H13ClFN" ;
dbo:inchi "InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H" ;
dbo:iupacName "1-(4-fluorophenyl)propan-2-amine hydrochloride"@en ;
dbo:pubchem "120675"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)F)N.Cl" ;
dbp:inchikey "InChIKey=GKWYMWZWSCKSMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4FamfAe" ;
skos:prefLabel "4-fluoramfetamine"@nl .
csc:ORSUTASIQKBEFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:20513 ;
dbo:casNumber "4444-68-2" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "N,N-diethylbutan-1-amine"@en ;
dbo:pubchem "20513"^^xsd:int ;
dbo:smiles "CCCCN(CC)CC" ;
dbp:inchikey "InChIKey=ORSUTASIQKBEFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yC4yAe" ;
skos:prefLabel "diethylbutylamine"@nl .
csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:29575 ;
dbo:casNumber "19408-74-3" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H" ;
dbo:iupacName "1,2,3,7,8,9-hexachlorooxanthrene"@en ;
dbo:pubchem "29575"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LGIRBUBHIWTVCK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8,9-hexachloordibenzo-p-dioxine"@nl , "1,2,3,7,8,9-hexachloordibenzodioxine"@nl , "1,2,3,7,8,9-hexachloordibenzo-para-dioxine"@nl , "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_19408-74-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD70" ;
skos:prefLabel " 1,2,3,7,8,9-hexachloordibenzodioxine"@nl ;
vcs:vmmParameterId "1250"^^xsd:int .
csc:ZKLPARSLTMPFCP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2678 ;
dbo:casNumber "83881-51-0" ;
dbo:formula "C21H25ClN2O3" ;
dbo:inchi "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)" ;
dbo:iupacName "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid"@en ;
dbo:pubchem "2678"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cetrzne" ;
skos:prefLabel "cetirizine"@nl .
csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6433386 ;
dbo:casNumber "3737-00-6" ;
dbo:formula "C3H4BrCl" ;
dbo:inchi "InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+" ;
dbo:iupacName "(E)-3-bromo-1-chloroprop-1-ene"@en ;
dbo:pubchem "6433386"^^xsd:int ;
dbo:smiles "C(C=CCl)Br" ;
dbp:inchikey "InChIKey=AHUWMUAVZFJTOC-HNQUOIGGSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Br1ClC3e" ;
skos:prefLabel "3-broom-1-chloorpropeen"@nl .
csc:LXQXZNRPTYVCNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23966 ;
dbo:casNumber "7440-35-9" , "22541-46-4" ;
dbo:formula "Am" ;
dbo:inchi "InChI=1S/Am" ;
dbo:iupacName "AMERICIUM"@en ;
dbo:pubchem "23966"^^xsd:int ;
dbo:smiles "[Am]" ;
dbp:inchikey "InChIKey=LXQXZNRPTYVCNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Am" ;
skos:prefLabel "americium"@nl .
csc:FSPSELPMWGWDRY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11455 ;
dbo:casNumber "585-74-0" ;
dbo:formula "C9H10O" ;
dbo:inchi "InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3" ;
dbo:iupacName "1-(3-methylphenyl)ethanone"@en ;
dbo:pubchem "11455"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C(=O)C" ;
dbp:inchikey "InChIKey=FSPSELPMWGWDRY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yactfnn" ;
skos:prefLabel "3-methylacetofenon"@nl .
csc:GYSSRZJIHXQEHQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21307 ;
dbo:casNumber "5234-68-4" ;
dbo:formula "C12H13NO2S" ;
dbo:inchi "InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)" ;
dbo:iupacName "2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE"@en ;
dbo:pubchem "21307"^^xsd:int ;
dbo:smiles "CC1=C(SCCO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=GYSSRZJIHXQEHQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbOxn" ;
skos:prefLabel "carboxin"@nl .
csc:TVFDJXOCXUVLDH-BJUDXGSMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6337088 ;
dbo:casNumber "15758-03-9" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs/i1-1" ;
dbo:iupacName "cesium-132"@en ;
dbo:pubchem "6337088"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs132" ;
skos:prefLabel "cesium 132"@nl .
csc:JRJBVWJSTHECJK-LUAWRHEFSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5356787 ;
dbo:casNumber "127-51-5" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9-" ;
dbo:iupacName "(Z)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)but-3-en-2-one"@en ;
dbo:pubchem "5356787"^^xsd:int ;
dbo:smiles "CC1=CCCC(C1C=C(C)C(=O)C)(C)C" ;
dbp:inchikey "InChIKey=JRJBVWJSTHECJK-LUAWRHEFSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aiC1yionn" ;
skos:prefLabel "alfa-isomethylionon"@nl .
csc:RZXIRSKYBISPGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:155166 ;
dbo:casNumber "68631-49-2" ;
dbo:formula "C12H4Br6O" ;
dbo:inchi "InChI=1S/C12H4Br6O/c13-5-1-9(17)11(3-7(5)15)19-12-4-8(16)6(14)2-10(12)18/h1-4H" ;
dbo:iupacName "1,2,4-tribromo-5-(2,4,5-tribromophenoxy)benzene"@en ;
dbo:pubchem "155166"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Br)Br)Br)OC2=CC(=C(C=C2Br)Br)Br" ;
dbp:inchikey "InChIKey=RZXIRSKYBISPGF-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4',5,5'-hexabroomdifenylether"@nl , "2,2',4,4',5,5'-hexabroomdifenylether (bde153)"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_68631-49-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE153" ;
skos:prefLabel "bde 153"@nl ;
vcs:vmmParameterId "935"^^xsd:int .
csc:JYYNAJVZFGKDEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7936 ;
dbo:casNumber "108-47-4" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3" ;
dbo:iupacName "2,4-Dimethylpyridine"@en ;
dbo:pubchem "7936"^^xsd:int ;
dbo:smiles "CC1=CC(=NC=C1)C" ;
dbp:inchikey "InChIKey=JYYNAJVZFGKDEQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yprdne" ;
skos:prefLabel "2,4-dimethylpyridine"@nl .
csc:XRQKNNNAKHZPSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37841 ;
dbo:casNumber "37853-61-5" , "108608-62-4" ;
dbo:formula "C17H16Br4O2" ;
dbo:inchi "InChI=1S/C17H16Br4O2/c1-17(2,9-5-11(18)15(22-3)12(19)6-9)10-7-13(20)16(23-4)14(21)8-10/h5-8H,1-4H3" ;
dbo:iupacName "1,3-dibromo-5-[2-(3,5-dibromo-4-methoxyphenyl)propan-2-yl]-2-methoxybenzene"@en ;
dbo:pubchem "37841"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=C(C(=C1)Br)OC)Br)C2=CC(=C(C(=C2)Br)OC)Br" ;
dbp:inchikey "InChIKey=XRQKNNNAKHZPSP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBBPADM" ;
skos:prefLabel "tetrabroombifenol dimethyl"@nl .
csc:ZJMMPUVJZQBMEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:184908 ;
dbo:casNumber "88963-39-7" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-2-4(8)6(10)5(3)9/h1-2H,10H2" ;
dbo:iupacName "2,3,6-trichloroaniline"@en ;
dbo:pubchem "184908"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)N)Cl)Cl" ;
dbp:inchikey "InChIKey=ZJMMPUVJZQBMEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TClAn" ;
skos:prefLabel "2,3,6-trichlooraniline"@nl .
csc:STEPQTYSZVCJPV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:49384 ;
dbo:casNumber "67129-08-2" ;
dbo:formula "C14H16ClN3O" ;
dbo:inchi "InChI=1S/C14H16ClN3O/c1-11-5-3-6-12(2)14(11)18(13(19)9-15)10-17-8-4-7-16-17/h3-8H,9-10H2,1-2H3" ;
dbo:iupacName "2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide"@en ;
dbo:pubchem "49384"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CCl" ;
dbp:inchikey "InChIKey=STEPQTYSZVCJPV-UHFFFAOYSA-N" ;
skos:altLabel "metazachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_67129-08-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mzCl" ;
skos:prefLabel "metazachloor"@nl ;
vcs:vmmParameterId "225"^^xsd:int .
csc:LFNLGNPSGWYGGD-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104783 ;
dbo:casNumber "86954-34-9" , "13994-20-2" ;
dbo:formula "Np" ;
dbo:inchi "InChI=1S/Np/i1+0" ;
dbo:iupacName "neptunium-237"@en ;
dbo:pubchem "104783"^^xsd:int ;
dbo:smiles "[Np]" ;
dbp:inchikey "InChIKey=LFNLGNPSGWYGGD-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Np237" ;
skos:prefLabel "neptunium 237"@nl .
csc:RPLCPCMSCLEKRS-BPIQYHPVSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40973 ;
dbo:casNumber "54024-22-5" ;
dbo:formula "C22H30O" ;
dbo:inchi "InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol"@en ;
dbo:pubchem "40973"^^xsd:int ;
dbo:smiles "CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CCCCC34" ;
dbp:inchikey "InChIKey=RPLCPCMSCLEKRS-BPIQYHPVSA-N" ;
skos:broader csc:CHEMONTID_0001466 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desgsl" ;
skos:prefLabel "desogestrel"@nl .
csc:LELOWRISYMNNSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II Art. 5.20.2.7. 'HCN'"@nl , "VLAR II bijl. 4.4.2 'cyaanwaterstof'"@nl ;
rdfs:seeAlso compound:768 ;
dbo:casNumber "74-90-8" , "341972-31-4" , "191234-22-7" ;
dbo:formula "CHN" ;
dbo:inchi "InChI=1S/CHN/c1-2/h1H" ;
dbo:iupacName "Formonitrile"@en ;
dbo:pubchem "768"^^xsd:int ;
dbo:smiles "C#N" ;
dbp:inchikey "InChIKey=LELOWRISYMNNSU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_009 ;
skos:altLabel "waterstofcyanide"@nl , "waterstofcyanide (hcn)"@nl ;
skos:broader csc:CHEMONTID_0000362 ;
skos:exactMatch wise:CAS_74-90-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCN" ;
skos:prefLabel "waterstofcyanide (HCN)"@nl ;
vcs:vmmParameterId "1158"^^xsd:int .
csc:PYZHTHZEHQHHEN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40500 ;
dbo:casNumber "52712-05-7" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-2-6(14)5(3-4)7-8(15)10(17)12(19)11(18)9(7)16/h1-3H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40500"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=PYZHTHZEHQHHEN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB185" ;
skos:prefLabel "2,2',3,4,5,5',6-heptachloorbifenyl"@nl .
csc:PSZYNBSKGUBXEH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6812 ;
dbo:casNumber "68412-23-7" , "25155-19-5" , "85-47-2" , "119020-53-0" , "68153-01-5" ;
dbo:formula "C10H8O3S" ;
dbo:inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12,13)" ;
dbo:iupacName "naphthalene-1-sulfonic acid"@en ;
dbo:pubchem "6812"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)O" ;
dbp:inchikey "InChIKey=PSZYNBSKGUBXEH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Nafsfzr" ;
skos:prefLabel "1-naftaleensulfonzuur"@nl .
csc:BBJPZPLAZVZTGR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:32921 ;
dbo:casNumber "25366-23-8" ;
dbo:formula "C6H7F3N4OS" ;
dbo:inchi "InChI=1S/C6H7F3N4OS/c1-10-4(14)13(2)5-12-11-3(15-5)6(7,8)9/h1-2H3,(H,10,14)" ;
dbo:iupacName "1,3-dimethyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea"@en ;
dbo:pubchem "32921"^^xsd:int ;
dbo:smiles "CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F" ;
dbp:inchikey "InChIKey=BBJPZPLAZVZTGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004668 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiazfrn" ;
skos:prefLabel "thiazafluron"@nl .
csc:ZMANZCXQSJIPKH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8471 ;
dbo:casNumber "121-44-8" , "168277-99-4" , "144514-14-7" , "172227-74-6" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3" ;
dbo:iupacName "N,N-Diethylethanamine"@en ;
dbo:pubchem "8471"^^xsd:int ;
dbo:smiles "CCN(CC)CC" ;
dbp:inchikey "InChIKey=ZMANZCXQSJIPKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yAe" ;
skos:prefLabel "triethylamine"@nl .
csc:BPFYOAJNDMUVBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:60651 ;
dbo:casNumber "115550-35-1" ;
dbo:formula "C17H19FN4O4" ;
dbo:inchi "InChI=1S/C17H19FN4O4/c1-19-3-5-21(6-4-19)14-12(18)7-10-13-16(14)26-9-20(2)22(13)8-11(15(10)23)17(24)25/h7-8H,3-6,9H2,1-2H3,(H,24,25)" ;
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1,2-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en ;
dbo:pubchem "60651"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F" ;
dbp:inchikey "InChIKey=BPFYOAJNDMUVBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "marbofloxacine"@nl .
csc:WLFDQEVORAMCIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:18290 ;
dbo:casNumber "3060-89-7" ;
dbo:formula "C9H11BrN2O2" ;
dbo:inchi "InChI=1S/C9H11BrN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)" ;
dbo:iupacName "3-(4-Bromophenyl)-1-methoxy-1-methylurea"@en ;
dbo:pubchem "18290"^^xsd:int ;
dbo:smiles "CN(C(=O)NC1=CC=C(C=C1)Br)OC" ;
dbp:inchikey "InChIKey=WLFDQEVORAMCIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_3060-89-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbmrn" ;
skos:prefLabel "metobromuron"@nl ;
vcs:vmmParameterId "801"^^xsd:int .
csc:HXVNBWAKAOHACI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11271 ;
dbo:casNumber "565-80-0" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2,4-Dimethylpentan-3-one"@en ;
dbo:pubchem "11271"^^xsd:int ;
dbo:smiles "CC(C)C(=O)C(C)C" ;
dbp:inchikey "InChIKey=HXVNBWAKAOHACI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yC5on" ;
skos:prefLabel "2,4-dimethyl-3-pentanon"@nl .
csc:SJEBAWHUJDUKQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6772 ;
dbo:casNumber "84-51-5" ;
dbo:formula "C16H12O2" ;
dbo:inchi "InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3" ;
dbo:iupacName "2-ethylanthracene-9,10-dione"@en ;
dbo:pubchem "6772"^^xsd:int ;
dbo:smiles "CCC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O" ;
dbp:inchikey "InChIKey=SJEBAWHUJDUKQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yatqnn" ;
skos:prefLabel "2-ethyl-anthraquinon"@nl .
csc:OCBHHZMJRVXXQK-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8755 ;
dbo:casNumber "68424-85-1" , "50641-12-8" , "68391-01-5" , "77465-44-2" , "113497-04-4" , "124548-64-7" , "139-08-2" , "51931-10-3" , "16287-71-1" ;
dbo:formula "C23H42ClN" ;
dbo:inchi "InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dimethyl-tetradecylazanium chloride"@en ;
dbo:pubchem "8755"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=OCBHHZMJRVXXQK-UHFFFAOYSA-M" ;
skos:altLabel "C12-C16-alkylbenzyldimethylammoniumchloride"@nl , "c12-c16-alkylbenzyldimethylammoniumchloride"@nl ;
skos:broader csc:CHEMONTID_0003977 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12C16akbzDC" , "benzDC1yC14y" ;
skos:prefLabel "benzyldimethyltetradecylammoniumchloride"@nl .
csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6049 ;
dbo:casNumber "10058-42-1" , "30485-87-1" , "13440-78-3" , "94108-75-5" , "32757-10-1" , "161122-33-4" , "20539-27-9" , "30485-88-2" , "60-00-4" , "26627-46-3" , "30485-90-6" ;
dbo:formula "C10H16N2O8" ;
dbo:inchi "InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)" ;
dbo:iupacName "2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid"@en ;
dbo:pubchem "6049"^^xsd:int ;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O" ;
dbp:inchikey "InChIKey=KCXVZYZYPLLWCC-UHFFFAOYSA-N" ;
skos:altLabel "ethyleendiaminetetraethaanzuur (EDTA)"@nl , "ethyleendiaminetetra-azijnzuur"@nl ;
skos:broader csc:CHEMONTID_0002966 ;
skos:exactMatch wise:CAS_60-00-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EDTA" ;
skos:prefLabel "ethyleendiaminetetraethaanzuur (edta)"@nl ;
vcs:vmmParameterId "885"^^xsd:int .
csc:BRCGUTSVMPKEKH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:424215 ;
dbo:casNumber "7529-52-4" ;
dbo:formula "C12H22Sn" ;
dbo:inchi "InChI=1S/2C6H11.Sn/c2*1-2-4-6-5-3-1;/h2*1H,2-6H2;" ;
dbo:iupacName "dicyclohexyltin"@en ;
dbo:pubchem "424215"^^xsd:int ;
dbo:smiles "C1CCC(CC1)[Sn]C2CCCCC2" ;
dbp:inchikey "InChIKey=BRCGUTSVMPKEKH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001524 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "dicyclohexyltin"@nl .
csc:KLJOSQAQZMLLMB-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:115268 ;
dbo:casNumber "6385-62-2" ;
dbo:formula "C12H14Br2N2O" ;
dbo:inchi "InChI=1S/C12H12N2.2BrH.H2O/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13)5-1;;;/h1-8H,9-10H2;2*1H;1H2/q+2;;;/p-2" ;
dbo:iupacName "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide;hydrate"@en ;
dbo:pubchem "115268"^^xsd:int ;
dbo:smiles "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.O.[Br-].[Br-]" ;
dbp:inchikey "InChIKey=KLJOSQAQZMLLMB-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DqDBrH2O" ;
skos:prefLabel "diquatdibromide-monohydraat"@nl .
csc:RYAUSSKQMZRMAI-ALOPSCKCSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93365 ;
dbo:casNumber "67564-91-4" , "76492-89-2" ;
dbo:formula "C20H33NO" ;
dbo:inchi "InChI=1S/C20H33NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h7-10,15-17H,11-14H2,1-6H3/t15?,16-,17+" ;
dbo:iupacName "(2R,6S)-4-[3-(4-tert-butylphenyl)-2-methylpropyl]-2,6-dimethylmorpholine"@en ;
dbo:pubchem "93365"^^xsd:int ;
dbo:smiles "CC1CN(CC(O1)C)CC(C)CC2=CC=C(C=C2)C(C)(C)C" ;
dbp:inchikey "InChIKey=RYAUSSKQMZRMAI-ALOPSCKCSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenppmf" ;
skos:prefLabel "fenpropimorf"@nl .
csc:GHASVSINZRGABV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3385 ;
dbo:casNumber "1004-03-1" , "79108-01-3" , "4921-97-5" , "51-21-8" ;
dbo:formula "C4H3FN2O2" ;
dbo:inchi "InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)" ;
dbo:iupacName "5-fluoro-1H-pyrimidine-2,4-dione"@en ;
dbo:pubchem "3385"^^xsd:int ;
dbo:smiles "C1=C(C(=O)NC(=O)N1)F" ;
dbp:inchikey "InChIKey=GHASVSINZRGABV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001893 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurcl" ;
skos:prefLabel "fluracil"@nl .
csc:KKMLIVYBGSAJPM-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25506 ;
dbo:casNumber "12071-83-9" ;
dbo:formula "C5H8N2S4Zn" ;
dbo:inchi "InChI=1S/C5H10N2S4.Zn/c1-3(7-5(10)11)2-6-4(8)9;/h3H,2H2,1H3,(H2,6,8,9)(H2,7,10,11);/q;+2/p-2" ;
dbo:iupacName "zinc [1-(sulfidocarbothioylamino)propan-2-ylamino]methanedithioate"@en ;
dbo:pubchem "25506"^^xsd:int ;
dbo:smiles "CC(CN=C(S)[S-])N=C(S)[S-].[Zn+2]" ;
dbp:inchikey "InChIKey=KKMLIVYBGSAJPM-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003997 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnb" ;
skos:prefLabel "propineb"@nl .
csc:UELITFHSCLAHKR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86412 ;
dbo:casNumber "135158-54-2" ;
dbo:formula "C8H6N2OS2" ;
dbo:inchi "InChI=1S/C8H6N2OS2/c1-12-8(11)5-3-2-4-6-7(5)13-10-9-6/h2-4H,1H3" ;
dbo:iupacName "S-Methyl 1,2,3-benzothiadiazole-7-carbothioate"@en ;
dbo:pubchem "86412"^^xsd:int ;
dbo:smiles "CSC(=O)C1=C2C(=CC=C1)N=NS2" ;
dbp:inchikey "InChIKey=UELITFHSCLAHKR-UHFFFAOYSA-N" ;
skos:altLabel "acibenzolar-s-methyl"@nl ;
skos:broader csc:CHEMONTID_0002323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acbzlSC1y" ;
skos:prefLabel "acibenzolar-S-methyl"@nl .
csc:WMLPCIHUFDKWJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92420 ;
dbo:casNumber "94593-91-6" ;
dbo:formula "C15H19N5O7S" ;
dbo:inchi "InChI=1S/C15H19N5O7S/c1-24-8-9-27-10-6-4-5-7-11(10)28(22,23)20-13(21)16-12-17-14(25-2)19-15(18-12)26-3/h4-7H,8-9H2,1-3H3,(H2,16,17,18,19,20,21)" ;
dbo:iupacName "3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-[2-(2-methoxyethoxy)phenyl]sulfonylurea"@en ;
dbo:pubchem "92420"^^xsd:int ;
dbo:smiles "COCCOC1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OC)OC" ;
dbp:inchikey "InChIKey=WMLPCIHUFDKWJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cinsfrn" ;
skos:prefLabel "cinosulfuron"@nl .
csc:ONXPZLFXDMAPRO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16318 ;
dbo:casNumber "2051-24-3" ;
dbo:formula "C12Cl10" ;
dbo:inchi "InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene"@en ;
dbo:pubchem "16318"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ONXPZLFXDMAPRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB209" ;
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decachloorbifenyl"@nl .
csc:WAKCWJNDXBPEBP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21205 ;
dbo:casNumber "5129-60-2" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3" ;
dbo:iupacName "Methyl 14-methylpentadecanoate"@en ;
dbo:pubchem "21205"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=WAKCWJNDXBPEBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y14C1yC15a" ;
skos:prefLabel "methyl 14-methylpentadecanoaat"@nl .
csc:TVPFLPJBESCUKI-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31396 ;
dbo:casNumber "81990-01-4" , "128-03-0" ;
dbo:formula "C3H6KNS2" ;
dbo:inchi "InChI=1S/C3H7NS2.K/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1" ;
dbo:iupacName "potassium dimethylaminomethanedithioate"@en ;
dbo:pubchem "31396"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].[K+]" ;
dbp:inchikey "InChIKey=TVPFLPJBESCUKI-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KDC1yDtocbmt" ;
skos:prefLabel "kaliumdimethyldithiocarbamaat"@nl .
csc:ATJFFYVFTNAWJD-LZFNBGRKSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336618 ;
dbo:casNumber "14683-08-0" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn/i1+6" ;
dbo:iupacName "tin-125"@en ;
dbo:pubchem "6336618"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "InChIKey=ATJFFYVFTNAWJD-LZFNBGRKSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn125" ;
skos:prefLabel "tin 125"@nl .
csc:KGHMWBNEMFNJFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9126 ;
dbo:casNumber "192-65-4" ;
dbo:formula "C24H14" ;
dbo:inchi "InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H" ;
dbo:iupacName "hexacyclo[10.10.2.02,7.08,24.015,23.016,21]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene"@en ;
dbo:pubchem "9126"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC=CC(=C64)C=C3" ;
dbp:inchikey "InChIKey=KGHMWBNEMFNJFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000316 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBaeP" ;
skos:prefLabel "dibenzo(a,e)pyreen"@nl .
csc:QUNWUDVFRNGTCO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4687 ;
dbo:casNumber "611-59-6" ;
dbo:formula "C7H8N4O2" ;
dbo:inchi "InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)" ;
dbo:iupacName "1,7-dimethyl-3H-purine-2,6-dione"@en ;
dbo:pubchem "4687"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)N(C(=O)N2)C" ;
dbp:inchikey "InChIKey=QUNWUDVFRNGTCO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17DC1yxtne" ;
skos:prefLabel "1,7-dimethylxanthine"@nl .
csc:SCCDDNKJYDZXMM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:39722 ;
dbo:casNumber "55353-08-7" , "50563-36-5" ;
dbo:formula "C13H18ClNO2" ;
dbo:inchi "InChI=1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3" ;
dbo:iupacName "2-Chloro-N-(2,6-dimethylphenyl)-N-(2-methoxyethyl)acetamide"@en ;
dbo:pubchem "39722"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(CCOC)C(=O)CCl" ;
dbp:inchikey "InChIKey=SCCDDNKJYDZXMM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmtCl" ;
skos:prefLabel "dimethachloor"@nl .
csc:HOBAELRKJCKHQD-QNEBEIHSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280581 ;
dbo:casNumber "1783-84-2" ;
dbo:formula "C20H34O2" ;
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-" ;
dbo:iupacName "(8Z,11Z,14Z)-icosa-8,11,14-trienoic acid"@en ;
dbo:pubchem "5280581"^^xsd:int ;
dbo:smiles "CCCCCC=CCC=CCC=CCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=HOBAELRKJCKHQD-QNEBEIHSSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c81114C20aTz" ;
skos:prefLabel "cis-8,11,14-eicosatrieenzuur"@nl .
csc:GKLVYJBZJHMRIY-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26476 ;
dbo:casNumber "14133-76-7" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1+1" ;
dbo:iupacName "TECHNETIUM"@en ;
dbo:pubchem "26476"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "InChIKey=GKLVYJBZJHMRIY-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc99" ;
skos:prefLabel "technetium 99"@nl .
csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86160 ;
dbo:casNumber "118134-30-8" ;
dbo:formula "C18H35NO2" ;
dbo:inchi "InChI=1S/C18H35NO2/c1-6-12-19(7-2)13-16-14-20-18(21-16)10-8-15(9-11-18)17(3,4)5/h15-16H,6-14H2,1-5H3" ;
dbo:iupacName "N-[(8-tert-butyl-1,4-dioxaspiro[4.5]decan-2-yl)methyl]-N-ethylpropan-1-amine"@en ;
dbo:pubchem "86160"^^xsd:int ;
dbo:smiles "CCCN(CC)CC1COC2(O1)CCC(CC2)C(C)(C)C" ;
dbp:inchikey "InChIKey=PUYXTUJWRLOUCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:exactMatch wise:CAS_118134-30-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirxmne" ;
skos:prefLabel "spiroxamine"@nl ;
vcs:vmmParameterId "1480"^^xsd:int .
csc:IFTRQJLVEBNKJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15431 ;
dbo:casNumber "1640-89-7" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "Ethylcyclopentane"@en ;
dbo:pubchem "15431"^^xsd:int ;
dbo:smiles "CCC1CCCC1" ;
dbp:inchikey "InChIKey=IFTRQJLVEBNKJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yccC5a" ;
skos:prefLabel "ethylcyclopentaan"@nl .
csc:VCHOFVSNWYPAEF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23229 ;
dbo:casNumber "6781-42-6" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-7(11)9-4-3-5-10(6-9)8(2)12/h3-6H,1-2H3" ;
dbo:iupacName "1-(3-acetylphenyl)ethanone"@en ;
dbo:pubchem "23229"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC(=CC=C1)C(=O)C" ;
dbp:inchikey "InChIKey=VCHOFVSNWYPAEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DactBen" ;
skos:prefLabel "1,3-diacetylbenzeen"@nl .
csc:CIFFBTOJCKSRJY-OLQVQODUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92888 ;
dbo:casNumber "1469-48-3" ;
dbo:formula "C8H9NO2" ;
dbo:inchi "InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+" ;
dbo:iupacName "(3aR,7aS)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "92888"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)NC2=O" ;
dbp:inchikey "InChIKey=CIFFBTOJCKSRJY-OLQVQODUSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4Hflmde" ;
skos:prefLabel "tetrahydroftaalimide"@nl .
csc:KQBFUDNJKCZEDQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40476 ;
dbo:casNumber "52663-69-1" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-8(16)3-9(17)11(18)12(10)19/h1-3H" ;
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40476"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=KQBFUDNJKCZEDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB183" ;
skos:prefLabel "2,2',3,4,4',5',6-heptachloorbifenyl"@nl .
csc:WFRUBUQWJYMMRQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:76041 ;
dbo:casNumber "117925-64-1" , "2795-39-3" , "59112-13-9" , "62010-27-9" , "69458-54-4" ;
dbo:formula "C8F17KO3S" ;
dbo:inchi "InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1" ;
dbo:iupacName "potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate"@en ;
dbo:pubchem "76041"^^xsd:int ;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]" ;
dbp:inchikey "InChIKey=WFRUBUQWJYMMRQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOS_K" ;
skos:prefLabel "perfluoroctaansulfonaat, kaliumzout"@nl .
csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:21013 ;
dbo:casNumber "4901-51-3" , "25167-83-3" ;
dbo:formula "C6H2Cl4O" ;
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H" ;
dbo:iupacName "2,3,4,5-TETRACHLOROPHENOL"@en ;
dbo:pubchem "21013"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O" ;
dbp:inchikey "InChIKey=RULKYXXCCZZKDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_4901-51-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345T4ClFol" ;
skos:prefLabel "2,3,4,5-tetrachloorfenol"@nl ;
vcs:vmmParameterId "335"^^xsd:int .
csc:BMIPMKQAAJKBKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8717 ;
dbo:casNumber "137-17-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-6-4-8(3)9(10)5-7(6)2/h4-5H,10H2,1-3H3" ;
dbo:iupacName "2,4,5-Trimethylaniline"@en ;
dbo:pubchem "8717"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C)N)C" ;
dbp:inchikey "InChIKey=BMIPMKQAAJKBKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "245TC1yAn" ;
skos:prefLabel "2,4,5-trimethylaniline"@nl .
csc:ONKNPOPIGWHAQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91497 ;
dbo:casNumber "1222-05-5" , "80450-66-4" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-11-9-19-10-13-7-15-16(8-14(11)13)18(5,6)12(2)17(15,3)4/h7-8,11-12H,9-10H2,1-6H3" ;
dbo:iupacName "4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g]isochromene"@en ;
dbo:pubchem "91497"^^xsd:int ;
dbo:smiles "CC1COCC2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C" ;
dbp:inchikey "InChIKey=ONKNPOPIGWHAQC-UHFFFAOYSA-N" ;
skos:altLabel "hexahydrohexamethylcyclopentabenzopyran (HHCB)"@nl ;
skos:broader csc:CHEMONTID_0003411 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HHCB" ;
skos:prefLabel "hexahydrohexamethylcyclopentabenzopyran (hhcb)"@nl .
csc:YPJUNDFVDDCYIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9777 ;
dbo:casNumber "375-22-4" ;
dbo:formula "C4HF7O2" ;
dbo:inchi "InChI=1S/C4HF7O2/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H,12,13)" ;
dbo:iupacName "2,2,3,3,4,4,4-heptafluorobutanoic acid"@en ;
dbo:pubchem "9777"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=YPJUNDFVDDCYIH-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-butaanzuur (pfba)"@nl , "perfluor-n-butaanzuur"@nl , "perfluorbutaanzuur (pfba)"@nl , "perfluorbutaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFBA" ;
skos:prefLabel "Perfluoro-n-butaanzuur"@nl .
csc:KVQVGSDBGJXNGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15264 ;
dbo:casNumber "1560-88-9" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3/h19H,4-18H2,1-3H3" ;
dbo:iupacName "2-METHYLOCTADECANE"@en ;
dbo:pubchem "15264"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=KVQVGSDBGJXNGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC18a" ;
skos:prefLabel "2-methyloctadecaan"@nl .
csc:ARUVKPQLZAKDPS-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24462 ;
dbo:casNumber "10124-44-4" , "18939-61-2" , "7758-98-7" , "139939-69-8" ;
dbo:formula "CuO4S" ;
dbo:inchi "InChI=1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "Copper sulfate"@en ;
dbo:pubchem "24462"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Cu+2]" ;
dbp:inchikey "InChIKey=ARUVKPQLZAKDPS-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CuSO4" ;
skos:prefLabel "kopersulfaat"@nl .
csc:MKXKFYHWDHIYRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3397 ;
dbo:casNumber "13311-84-7" , "37209-54-4" , "337962-98-8" ;
dbo:formula "C11H11F3N2O3" ;
dbo:inchi "InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)" ;
dbo:iupacName "2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide"@en ;
dbo:pubchem "3397"^^xsd:int ;
dbo:smiles "CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F" ;
dbp:inchikey "InChIKey=MKXKFYHWDHIYRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutmde" ;
skos:prefLabel "flutamide"@nl .
csc:LGRFSURHDFAFJT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6811 ;
dbo:casNumber "39363-63-8" , "85-44-9" , "68411-80-3" ;
dbo:formula "C8H4O3" ;
dbo:inchi "InChI=1S/C8H4O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H" ;
dbo:iupacName "2-benzofuran-1,3-dione"@en ;
dbo:pubchem "6811"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)OC2=O" ;
dbp:inchikey "InChIKey=LGRFSURHDFAFJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001109 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ftaalzrahdde" ;
skos:prefLabel "ftaalzuuranhydride"@nl .
csc:QNVRIHYSUZMSGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12297 ;
dbo:casNumber "52019-78-0" , "54972-97-3" , "20281-86-1" , "26549-24-6" , "626-93-7" , "69203-06-1" , "37769-60-1" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-3-4-5-6(2)7/h6-7H,3-5H2,1-2H3" ;
dbo:iupacName "hexan-2-ol"@en ;
dbo:pubchem "12297"^^xsd:int ;
dbo:smiles "CCCCC(C)O" ;
dbp:inchikey "InChIKey=QNVRIHYSUZMSGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C6ol" ;
skos:prefLabel "2-hexanol"@nl .
csc:OMPJBNCRMGITSC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7187 ;
dbo:casNumber "132323-44-5" , "37370-29-9" , "143928-58-9" , "94-36-0" , "117989-71-6" ;
dbo:formula "C14H10O4" ;
dbo:inchi "InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "benzoyl benzenecarboperoxoate"@en ;
dbo:pubchem "7187"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=OMPJBNCRMGITSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004112 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzypO" ;
skos:prefLabel "benzoylperoxide"@nl .
csc:DNYWXJPIRSNXIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182782 ;
dbo:casNumber "127099-33-6" ;
dbo:formula "C2H2BrCl3" ;
dbo:inchi "InChI=1S/C2H2BrCl3/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "2-bromo-1,1,1-trichloroethane"@en ;
dbo:pubchem "182782"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)Br" ;
dbp:inchikey "InChIKey=DNYWXJPIRSNXIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "broomtrichloorethaan"@nl .
csc:BNWJOHGLIBDBOB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4276 ;
dbo:casNumber "607-91-0" ;
dbo:formula "C11H12O3" ;
dbo:inchi "InChI=1S/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3,5-6H,1,4,7H2,2H3" ;
dbo:iupacName "4-methoxy-6-prop-2-enyl-1,3-benzodioxole"@en ;
dbo:pubchem "4276"^^xsd:int ;
dbo:smiles "COC1=CC(=CC2=C1OCO2)CC=C" ;
dbp:inchikey "InChIKey=BNWJOHGLIBDBOB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6all4C1ox13B" ;
skos:prefLabel "6-allyl-4-methoxy-1,3-benzodioxol"@nl .
csc:SEEPANYCNGTZFQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5215 ;
dbo:casNumber "68-35-9" , "141582-64-1" ;
dbo:formula "C10H10N4O2S" ;
dbo:inchi "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)" ;
dbo:iupacName "4-amino-N-pyrimidin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5215"^^xsd:int ;
dbo:smiles "C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=SEEPANYCNGTZFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfdazne" ;
skos:prefLabel "sulfadiazine"@nl .
csc:YRSSHOVRSMQULE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:74685 ;
dbo:casNumber "1891-95-8" ;
dbo:formula "C7H3Cl2NO" ;
dbo:inchi "InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H" ;
dbo:iupacName "3,5-Dichloro-4-hydroxybenzonitrile"@en ;
dbo:pubchem "74685"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)O)Cl)C#N" ;
dbp:inchikey "InChIKey=YRSSHOVRSMQULE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClOxnl" ;
skos:prefLabel "chlooroxynil"@nl .
csc:MYEIDJPOUKASEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7197 ;
dbo:casNumber "94-58-6" ;
dbo:formula "C10H12O2" ;
dbo:inchi "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3" ;
dbo:iupacName "5-Propyl-1,3-benzodioxole"@en ;
dbo:pubchem "7197"^^xsd:int ;
dbo:smiles "CCCC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "InChIKey=MYEIDJPOUKASEC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHsfl" ;
skos:prefLabel "dihydrosafrol"@nl .
csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6599 ;
dbo:casNumber "79-45-8" ;
dbo:formula "C3H7NS2" ;
dbo:inchi "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)" ;
dbo:iupacName "dimethylaminomethanedithioic acid"@en ;
dbo:pubchem "6599"^^xsd:int ;
dbo:smiles "CN(C)C(=S)S" ;
dbp:inchikey "InChIKey=MZGNSEAPZQGJRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000004 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDtocbmt" ;
skos:prefLabel "dimethyldithiocarbamaat"@nl .
csc:PQTBTIFWAXVEPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91760 ;
dbo:casNumber "99105-77-8" , "114680-61-4" , "123174-48-1" ;
dbo:formula "C14H13ClO5S" ;
dbo:inchi "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3" ;
dbo:iupacName "2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione"@en ;
dbo:pubchem "91760"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl" ;
dbp:inchikey "InChIKey=PQTBTIFWAXVEPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004673 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulcton" ;
skos:prefLabel "sulcotrion"@nl .
csc:IJLXLZGJDSJGIQ-BILPMHSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:119086 ;
dbo:casNumber "24320-06-7" ;
dbo:formula "C22H32O3" ;
dbo:inchi "InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "119086"^^xsd:int ;
dbo:smiles "CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)CO)C" ;
dbp:inchikey "InChIKey=IJLXLZGJDSJGIQ-BILPMHSYSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "org2058" ;
skos:prefLabel "16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione"@nl .
csc:GRKDVZMVHOLESV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:101059 ;
dbo:casNumber "59447-55-1" ;
dbo:formula "C10H5Br5O2" ;
dbo:inchi "InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2" ;
dbo:iupacName "(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate"@en ;
dbo:pubchem "101059"^^xsd:int ;
dbo:smiles "C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=GRKDVZMVHOLESV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeBrFyC1yacl" ;
skos:prefLabel "(pentabroomfenyl)methylacrylaat"@nl .
csc:OGPBJKLSAFTDLK-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105012 ;
dbo:casNumber "15585-10-1" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+2" ;
dbo:iupacName "europium-154"@en ;
dbo:pubchem "105012"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu154" ;
skos:prefLabel "europium 154"@nl .
csc:XEEYBQQBJWHFJM-AKLPVKDBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104784 ;
dbo:casNumber "14596-12-4" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe/i1+3" ;
dbo:iupacName "iron-59"@en ;
dbo:pubchem "104784"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "InChIKey=XEEYBQQBJWHFJM-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe59" ;
skos:prefLabel "ijzer 59"@nl .
csc:RKZDZWJDQTZDLD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9147 ;
dbo:casNumber "203-64-5" ;
dbo:formula "C15H10" ;
dbo:inchi "InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2" ;
dbo:iupacName "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene"@en ;
dbo:pubchem "9147"^^xsd:int ;
dbo:smiles "C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3" ;
dbp:inchikey "InChIKey=RKZDZWJDQTZDLD-UHFFFAOYSA-N" ;
skos:altLabel "4h-cyclopenta(def)fenantreen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HccPedefF02" ;
skos:prefLabel "4H-cyclopenta(def)fenantreen"@nl .
csc:UREBDLICKHMUKA-DVTGEIKXSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9782 ;
dbo:casNumber "378-44-9" ;
dbo:formula "C22H29FO5" ;
dbo:inchi "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1" ;
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "9782"^^xsd:int ;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C" ;
dbp:inchikey "InChIKey=UREBDLICKHMUKA-DVTGEIKXSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "betmtsn" ;
skos:prefLabel "betamethason"@nl .
csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24764 ;
dbo:casNumber "107-46-0" , "9006-65-9" ;
dbo:formula "C6H18OSi2" ;
dbo:inchi "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3" ;
dbo:iupacName "trimethyl-trimethylsilyloxysilane"@en ;
dbo:pubchem "24764"^^xsd:int ;
dbo:smiles "C[Si](C)(C)O[Si](C)(C)C" ;
dbp:inchikey "InChIKey=UQEAIHBTYFGYIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yDslxn" ;
skos:prefLabel "hexamethyldisiloxaan"@nl .
csc:ICVKYYINQHWDLM-YLNALPTESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433274 ;
dbo:casNumber "1405-54-5" ;
dbo:formula "C50H83NO23" ;
dbo:inchi "InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1" ;
dbo:iupacName "(2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde"@en ;
dbo:pubchem "6433274"^^xsd:int ;
dbo:smiles "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O" ;
dbp:inchikey "InChIKey=ICVKYYINQHWDLM-YLNALPTESA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tylsnttt" ;
skos:prefLabel "tylosine tartraat"@nl .
csc:DWAQJAXMDSEUJJ-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6398973 ;
dbo:casNumber "57414-01-4" , "89830-27-3" , "91829-63-9" , "7631-90-5" , "69098-86-8" ;
dbo:formula "NaO3S-" ;
dbo:inchi "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2" ;
dbo:iupacName "SODIUM SULFITE"@en ;
dbo:pubchem "6398973"^^xsd:int ;
dbo:smiles "[O-]S(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=DWAQJAXMDSEUJJ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaHSO3" ;
skos:prefLabel "natriumwaterstofsulfiet"@nl .
csc:CTRLABGOLIVAIY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34312 ;
dbo:casNumber "28721-07-5" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19)" ;
dbo:iupacName "5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "34312"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N" ;
dbp:inchikey "InChIKey=CTRLABGOLIVAIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxcbmzpne" ;
skos:prefLabel "oxcarbamazepine"@nl .
csc:JZRCRCFPVAXHHQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2782413 ;
dbo:casNumber "34598-33-9" ;
dbo:formula "C11H5F17O2" ;
dbo:inchi "InChI=1S/C11H5F17O2/c12-4(13,2-1-3(29)30)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2H2,(H,29,30)" ;
dbo:iupacName "4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecanoic acid"@en ;
dbo:pubchem "2782413"^^xsd:int ;
dbo:smiles "C(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O" ;
dbp:inchikey "InChIKey=JZRCRCFPVAXHHQ-UHFFFAOYSA-N" ;
skos:altLabel "2h,2h,3h,3h-perfluorundecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H-PFUdA" ;
skos:prefLabel "2H,2H,3H,3H-perfluorundecaanzuur"@nl .
csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13940 ;
dbo:casNumber "1031-07-8" , "6749-25-3" , "87695-43-0" ;
dbo:formula "C9H6Cl6O4S" ;
dbo:inchi "InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2" ;
dbo:iupacName "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide"@en ;
dbo:pubchem "13940"^^xsd:int ;
dbo:smiles "C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=AAPVQEMYVNZIOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:exactMatch wise:CAS_1031-07-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "endsfSO4" ;
skos:prefLabel "endosulfansulfaat"@nl ;
vcs:vmmParameterId "238"^^xsd:int .
csc:LFSAPCRASZRSKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11419 ;
dbo:casNumber "583-60-8" , "24965-84-2" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3" ;
dbo:iupacName "2-methylcyclohexan-1-one"@en ;
dbo:pubchem "11419"^^xsd:int ;
dbo:smiles "CC1CCCCC1=O" ;
dbp:inchikey "InChIKey=LFSAPCRASZRSKS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-methylcyclohexanon"@nl .
csc:MCWXGJITAZMZEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3082 ;
dbo:casNumber "56833-73-9" , "79956-18-6" , "11003-53-5" , "11096-20-1" , "60-51-5" ;
dbo:formula "C5H12NO3PS2" ;
dbo:inchi "InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)" ;
dbo:iupacName "2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide"@en ;
dbo:pubchem "3082"^^xsd:int ;
dbo:smiles "CNC(=O)CSP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=MCWXGJITAZMZEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_60-51-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtat" ;
skos:prefLabel "dimethoaat"@nl ;
vcs:vmmParameterId "396"^^xsd:int .
csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1752 ;
dbo:casNumber "29832-11-9" , "68081-86-7" , "104-40-5" ;
dbo:formula "C15H24O" ;
dbo:inchi "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3" ;
dbo:iupacName "4-NONYLPHENOL"@en ;
dbo:pubchem "1752"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=IGFHQQFPSIBGKE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_A_005 ;
skos:altLabel "4-n-nonylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_104-40-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C9yFol" ;
skos:prefLabel "4-nonylfenol"@nl ;
vcs:vmmParameterId "828"^^xsd:int .
csc:VUBDMGXNLNDGIY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:61546 ;
dbo:casNumber "12057-74-8" ;
dbo:formula "Mg3P2" ;
dbo:inchi "InChI=1S/3Mg.2P/q3*+2;2*-3" ;
dbo:iupacName "trimagnesium phosphorus(-3) anion"@en ;
dbo:pubchem "61546"^^xsd:int ;
dbo:smiles "[Mg+2].[Mg+2].[Mg+2].[P-3].[P-3]" ;
dbp:inchikey "InChIKey=VUBDMGXNLNDGIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgP" ;
skos:prefLabel "magnesiumfosfide"@nl .
csc:JPOPEORRMSDUIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16495 ;
dbo:casNumber "2136-99-4" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "16495"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JPOPEORRMSDUIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB202" ;
skos:prefLabel "2,2',3,3',5,5',6,6'-octachloorbifenyl"@nl .
csc:WATWJIUSRGPENY-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335510 ;
dbo:casNumber "14683-10-4" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+2" ;
dbo:iupacName "antimony-124"@en ;
dbo:pubchem "6335510"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb124" ;
skos:prefLabel "antimoon 124"@nl .
csc:MNFMIVVPXOGUMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36392 ;
dbo:casNumber "33245-39-5" ;
dbo:formula "C12H13ClF3N3O4" ;
dbo:inchi "InChI=1S/C12H13ClF3N3O4/c1-2-4-17(5-3-13)11-9(18(20)21)6-8(12(14,15)16)7-10(11)19(22)23/h6-7H,2-5H2,1H3" ;
dbo:iupacName "N-(2-Chloroethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline"@en ;
dbo:pubchem "36392"^^xsd:int ;
dbo:smiles "CCCN(CCCl)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=MNFMIVVPXOGUMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluClaln" ;
skos:prefLabel "fluchloralin"@nl .
csc:DHVLDKHFGIVEIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61948 ;
dbo:casNumber "35691-65-7" ;
dbo:formula "C6H6Br2N2" ;
dbo:inchi "InChI=1S/C6H6Br2N2/c7-4-6(8,5-10)2-1-3-9/h1-2,4H2" ;
dbo:iupacName "2-BROMO-2-(BROMOMETHYL)PENTANEDINITRILE"@en ;
dbo:pubchem "61948"^^xsd:int ;
dbo:smiles "C(CC(CBr)(C#N)Br)C#N" ;
dbp:inchikey "InChIKey=DHVLDKHFGIVEIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBr24DCNC4" ;
skos:prefLabel "1,2-dibroom-2,4-dicyanobutaan"@nl .
csc:CDTWRIBBCOMBSI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:296567 ;
dbo:casNumber "55429-83-9" ;
dbo:formula "C34H70" ;
dbo:inchi "InChI=1S/C34H70/c1-4-7-10-13-16-17-18-19-20-21-22-23-24-27-30-33-34(31-28-25-14-11-8-5-2)32-29-26-15-12-9-6-3/h34H,4-33H2,1-3H3" ;
dbo:iupacName "9-octylhexacosane"@en ;
dbo:pubchem "296567"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(CCCCCCCC)CCCCCCCC" ;
dbp:inchikey "InChIKey=CDTWRIBBCOMBSI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "9C8yC26a" ;
skos:prefLabel "9-octylhexacosaan"@nl .
csc:DXJURUJRANOYMX-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:76040 ;
dbo:casNumber "1493-13-6" , "2794-60-7" ;
dbo:formula "C2BaF6O6S2" ;
dbo:inchi "InChI=1S/2CHF3O3S.Ba/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2" ;
dbo:iupacName "barium(+2) cation; trifluoromethanesulfonate"@en ;
dbo:pubchem "76040"^^xsd:int ;
dbo:smiles "C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ba+2]" ;
dbp:inchikey "InChIKey=DXJURUJRANOYMX-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0004581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFlC1asfzr" ;
skos:prefLabel "trifluormethaansulfonzuur"@nl .
csc:HXWHIGAHMKKVBV-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71079 ;
dbo:casNumber "335-93-3" ;
dbo:formula "C8AgF15O2" ;
dbo:inchi "InChI=1S/C8HF15O2.Ag/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1" ;
dbo:iupacName "silver 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate"@en ;
dbo:pubchem "71079"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Ag+]" ;
dbp:inchikey "InChIKey=HXWHIGAHMKKVBV-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_Ag" ;
skos:prefLabel "perfluoroctaanzuur, zilver(1plus)zout (1-1)"@nl .
csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32184 ;
dbo:casNumber "24017-47-8" ;
dbo:formula "C12H16N3O3PS" ;
dbo:inchi "InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane"@en ;
dbo:pubchem "32184"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=AMFGTOFWMRQMEM-UHFFFAOYSA-N" ;
skos:altLabel "triazophos"@nl ;
skos:broader csc:CHEMONTID_0003314 ;
skos:exactMatch wise:CAS_24017-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazfs" ;
skos:prefLabel "triazofos"@nl ;
vcs:vmmParameterId "406"^^xsd:int .
csc:GZCGUPFRVQAUEE-SLPGGIOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:107526 ;
dbo:casNumber "28823-03-2" , "9050-36-6" , "815-92-9" , "19030-38-7" ;
dbo:formula "C6H12O6" ;
dbo:inchi "InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1" ;
dbo:iupacName "(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal"@en ;
dbo:pubchem "107526"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C=O)O)O)O)O)O" ;
dbp:inchikey "InChIKey=GZCGUPFRVQAUEE-SLPGGIOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "maltdtne" ;
skos:prefLabel "maltodextrine"@nl .
csc:UNCGJRRROFURDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38879 ;
dbo:casNumber "41464-43-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-5-4-7(6-11(9)15)8-2-1-3-10(14)12(8)16/h1-6H" ;
dbo:iupacName "1,2-dichloro-4-(2,3-dichlorophenyl)benzene"@en ;
dbo:pubchem "38879"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=UNCGJRRROFURDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB56" ;
skos:prefLabel "2,3,3',4'-tetrachloorbifenyl"@nl .
csc:JWBOIMRXGHLCPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4211 ;
dbo:casNumber "53-19-0" ;
dbo:formula "C14H10Cl4" ;
dbo:inchi "InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H" ;
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethyl]benzene"@en ;
dbo:pubchem "4211"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JWBOIMRXGHLCPP-UHFFFAOYSA-N" ;
skos:altLabel "2,4'-dichloordifenyldichloorethaan"@nl , "o,p’-ddd"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_53-19-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DDD" ;
skos:prefLabel "op'dichloordifenyldichloorethaan"@nl ;
vcs:vmmParameterId "255"^^xsd:int .
csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12418 ;
dbo:casNumber "630-20-6" ;
dbo:formula "C2H2Cl4" ;
dbo:inchi "InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "1,1,1,2-TETRACHLOROETHANE"@en ;
dbo:pubchem "12418"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QVLAWKAXOMEXPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_630-20-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1112T4ClC2a" ;
skos:prefLabel "1,1,1,2-tetrachloorethaan"@nl ;
vcs:vmmParameterId "313"^^xsd:int .
csc:CIOAGBVUUVVLOB-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5388880 ;
dbo:casNumber "14158-27-1" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1+1" ;
dbo:iupacName "strontium-89"@en ;
dbo:pubchem "5388880"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "InChIKey=CIOAGBVUUVVLOB-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr89" ;
skos:prefLabel "strontium 89"@nl .
csc:MLPOSYHILZVCJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33781 ;
dbo:casNumber "27323-28-0" ;
dbo:formula "C18H18N2" ;
dbo:inchi "InChI=1S/2C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7/h2*2-6,10H,1H3" ;
dbo:iupacName "2-methyl-1H-indole; 5-methyl-1H-indole"@en ;
dbo:pubchem "33781"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)NC=C2.CC1=CC2=CC=CC=C2N1" ;
dbp:inchikey "InChIKey=MLPOSYHILZVCJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yidl" ;
skos:prefLabel "methylindool"@nl .
csc:IWDQPCIQCXRBQP-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8807 ;
dbo:casNumber "140-56-7" , "150-70-9" ;
dbo:formula "C8H10N3NaO3S" ;
dbo:inchi "InChI=1S/C8H11N3O3S.Na/c1-11(2)8-5-3-7(4-6-8)9-10-15(12,13)14;/h3-6H,1-2H3,(H,12,13,14);/q;+1/p-1" ;
dbo:iupacName "sodium N-(4-dimethylaminophenyl)iminosulfamate"@en ;
dbo:pubchem "8807"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N=NS(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=IWDQPCIQCXRBQP-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmnsf" ;
skos:prefLabel "fenaminosulf"@nl .
csc:JNRLEMMIVRBKJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7567 ;
dbo:casNumber "30135-64-9" , "101-61-1" ;
dbo:formula "C17H22N2" ;
dbo:inchi "InChI=1S/C17H22N2/c1-18(2)16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)19(3)4/h5-12H,13H2,1-4H3" ;
dbo:iupacName "4-[(4-dimethylaminophenyl)methyl]-N,N-dimethylaniline"@en ;
dbo:pubchem "7567"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)CC2=CC=C(C=C2)N(C)C" ;
dbp:inchikey "InChIKey=JNRLEMMIVRBKJE-UHFFFAOYSA-N" ;
skos:altLabel "4,4'-methyleenbis(N,N-dimethylaniline)"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44C1yebNNDC1" ;
skos:prefLabel "4,4'-methyleenbis(n,n-dimethylaniline)"@nl .
csc:YGFIGGVCQHKDOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61111 ;
dbo:casNumber "422-48-0" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(6)2(5,7)3(8,9)10/h1H" ;
dbo:iupacName "2,3-DICHLORO-1,1,1,2,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61111"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=YGFIGGVCQHKDOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ba" ;
skos:prefLabel "2,3-dichloor-1,1,1,2,3-pentafluorpropaan"@nl .
csc:JAZBEHYOTPTENJ-JLNKQSITSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:446284 ;
dbo:casNumber "25377-48-4" , "10417-94-4" ;
dbo:formula "C20H30O2" ;
dbo:inchi "InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,13-12-,16-15-" ;
dbo:iupacName "(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid"@en ;
dbo:pubchem "446284"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O" ;
dbp:inchikey "InChIKey=JAZBEHYOTPTENJ-JLNKQSITSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cC20aPezr" ;
skos:prefLabel "cis-5,8,11,14,17-eicosapentaeenzuur"@nl .
csc:CVHZOJJKTDOEJC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5143 ;
dbo:casNumber "126987-83-5" , "81-07-2" , "474-91-9" , "61255-27-4" ;
dbo:formula "C7H5NO3S" ;
dbo:inchi "InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)" ;
dbo:iupacName "1,1-dioxo-1,2-benzothiazol-3-one"@en ;
dbo:pubchem "5143"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NS2(=O)=O" ;
dbp:inchikey "InChIKey=CVHZOJJKTDOEJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "saccrne" ;
skos:prefLabel "saccharine"@nl .
csc:AFCCDDWKHLHPDF-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8727 ;
dbo:casNumber "144-54-7" , "6734-80-1" , "137-42-8" ;
dbo:formula "C2H4NNaS2" ;
dbo:inchi "InChI=1S/C2H5NS2.Na/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" ;
dbo:iupacName "sodium methylaminomethanedithioate"@en ;
dbo:pubchem "8727"^^xsd:int ;
dbo:smiles "CN=C(S)[S-].[Na+]" ;
dbp:inchikey "InChIKey=AFCCDDWKHLHPDF-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metNa" ;
skos:prefLabel "metham-natrium"@nl .
csc:GUTLYIVDDKVIGB-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:166998 ;
dbo:casNumber "14093-03-9" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-3" ;
dbo:iupacName "cobalt-56"@en ;
dbo:pubchem "166998"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co56" ;
skos:prefLabel "kobalt 56"@nl .
csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5216 ;
dbo:casNumber "11141-20-1" , "12764-71-5" , "119603-94-0" , "39291-64-0" , "122-34-9" ;
dbo:formula "C7H12ClN5" ;
dbo:inchi "InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "5216"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NCC" ;
dbp:inchikey "InChIKey=ODCWYMIRDDJXKW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:exactMatch wise:CAS_122-34-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simzne" ;
skos:prefLabel "simazine"@nl ;
vcs:vmmParameterId "280"^^xsd:int .
csc:VOPWNXZWBYDODV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6372 ;
dbo:casNumber "75-45-6" , "134191-96-1" , "73666-77-0" , "191542-01-5" ;
dbo:formula "CHClF2" ;
dbo:inchi "InChI=1S/CHClF2/c2-1(3)4/h1H" ;
dbo:iupacName "chloro-difluoromethane"@en ;
dbo:pubchem "6372"^^xsd:int ;
dbo:smiles "C(F)(F)Cl" ;
dbp:inchikey "InChIKey=VOPWNXZWBYDODV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK22" ;
skos:prefLabel "chloordifluormethaan"@nl .
csc:GOLXNESZZPUPJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9907412 ;
dbo:casNumber "283594-90-1" ;
dbo:formula "C23H30O4" ;
dbo:inchi "InChI=1S/C23H30O4/c1-14-11-15(2)18(16(3)12-14)19-20(26-17(24)13-22(4,5)6)23(27-21(19)25)9-7-8-10-23/h11-12H,7-10,13H2,1-6H3" ;
dbo:iupacName "[2-oxo-3-(2,4,6-trimethylphenyl)-1-oxaspiro[4.4]non-3-en-4-yl] 3,3-dimethylbutanoate"@en ;
dbo:pubchem "9907412"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)C2=C(C3(CCCC3)OC2=O)OC(=O)CC(C)(C)C)C" ;
dbp:inchikey "InChIKey=GOLXNESZZPUPJE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmsfn" ;
skos:prefLabel "spiromesifen"@nl .
csc:IMKHDCBNRDRUEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27209 ;
dbo:casNumber "19432-05-4" , "15356-74-8" , "17092-92-1" ;
dbo:formula "C11H16O2" ;
dbo:inchi "InChI=1S/C11H16O2/c1-10(2)5-4-6-11(3)8(10)7-9(12)13-11/h7H,4-6H2,1-3H3" ;
dbo:iupacName "4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one"@en ;
dbo:pubchem "27209"^^xsd:int ;
dbo:smiles "CC1(CCCC2(C1=CC(=O)O2)C)C" ;
dbp:inchikey "InChIKey=IMKHDCBNRDRUEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000301 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5677aT4H447a" ;
skos:prefLabel "5,6,7,7a-tetrahydro-4,4,7a-trimethyl-2-benzofuranon"@nl .
csc:WZDGZWOAQTVYBX-XOINTXKNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:444008 ;
dbo:casNumber "5630-53-5" ;
dbo:formula "C21H28O2" ;
dbo:inchi "InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1" ;
dbo:iupacName "(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "444008"^^xsd:int ;
dbo:smiles "CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O" ;
dbp:inchikey "InChIKey=WZDGZWOAQTVYBX-XOINTXKNSA-N" ;
skos:broader csc:CHEMONTID_0001194 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tibln" ;
skos:prefLabel "tibolon"@nl .
csc:MDQKYGOECVSPIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34217 ;
dbo:casNumber "28343-61-5" ;
dbo:formula "C8HCl3N2O" ;
dbo:inchi "InChI=1S/C8HCl3N2O/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H" ;
dbo:iupacName "2,4,5-trichloro-6-hydroxybenzene-1,3-dicarbonitrile"@en ;
dbo:pubchem "34217"^^xsd:int ;
dbo:smiles "C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O" ;
dbp:inchikey "InChIKey=MDQKYGOECVSPIW-UHFFFAOYSA-N" ;
skos:altLabel "4-hydroxy-2,5,6-trichloroisophthalonitrile"@nl ;
skos:broader csc:CHEMONTID_0001530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HTI" ;
skos:prefLabel "4-hydroxy-2,5,6-trichloorisoftalonitril"@nl .
csc:LXOFYPKXCSULTL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31362 ;
dbo:casNumber "171023-04-4" , "37211-43-1" , "166737-17-3" , "126-86-3" , "8043-35-4" , "61879-19-4" ;
dbo:formula "C14H26O2" ;
dbo:inchi "InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3" ;
dbo:iupacName "2,4,7,9-Tetramethyldec-5-yne-4,7-diol"@en ;
dbo:pubchem "31362"^^xsd:int ;
dbo:smiles "CC(C)CC(C)(C#CC(C)(CC(C)C)O)O" ;
dbp:inchikey "InChIKey=LXOFYPKXCSULTL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001373 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2479T4C1y5dc" ;
skos:prefLabel "2,4,7,9-tetramethyl-5-decyn-4,7-diol"@nl .
csc:SFNPDDSJBGRXLW-UITAMQMPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5368008 ;
dbo:casNumber "34681-10-2" ;
dbo:formula "C7H14N2O2S" ;
dbo:inchi "InChI=1S/C7H14N2O2S/c1-5(6(2)12-4)9-11-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5-" ;
dbo:iupacName "(3-methylsulfanylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "5368008"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)SC" ;
dbp:inchikey "InChIKey=SFNPDDSJBGRXLW-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxm" ;
skos:prefLabel "butocarboxim"@nl .
csc:DDBMQDADIHOWIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92389 ;
dbo:casNumber "74070-46-5" ;
dbo:formula "C12H9ClN2O3" ;
dbo:inchi "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2" ;
dbo:iupacName "2-chloro-6-nitro-3-(phenoxy)aniline"@en ;
dbo:pubchem "92389"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl" ;
dbp:inchikey "InChIKey=DDBMQDADIHOWIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:exactMatch wise:CAS_74070-46-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acnfn" ;
skos:prefLabel "aclonifen"@nl ;
vcs:vmmParameterId "1523"^^xsd:int .
csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6901 ;
dbo:casNumber "87-68-3" ;
dbo:formula "C4Cl6" ;
dbo:inchi "InChI=1S/C4Cl6/c5-1(3(7)8)2(6)4(9)10" ;
dbo:iupacName "1,1,2,3,4,4-hexachlorobuta-1,3-diene"@en ;
dbo:pubchem "6901"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RWNKSTSCBHKHTB-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorbutadieen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_87-68-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClbtDen" ;
skos:prefLabel "hexachloorbutadieen (hcbd)"@nl ;
vcs:vmmParameterId "245"^^xsd:int .
csc:HZJKXKUJVSEEFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6336 ;
dbo:casNumber "96281-50-4" , "88671-89-0" , "154144-93-1" , "205862-69-7" ;
dbo:formula "C15H17ClN4" ;
dbo:inchi "InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3" ;
dbo:iupacName "2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile"@en ;
dbo:pubchem "6336"^^xsd:int ;
dbo:smiles "CCCCC(CN1C=NC=N1)(C#N)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=HZJKXKUJVSEEFU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mycbtnl" ;
skos:prefLabel "myclobutanil"@nl .
csc:ZUNGGJHBMLMRFJ-UHFFFAOYSA-O
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328134 ;
dbo:casNumber "15845-66-6" ;
dbo:formula "C2H6O3P+" ;
dbo:inchi "InChI=1S/C2H5O3P/c1-2-5-6(3)4/h2H2,1H3/p+1" ;
dbo:iupacName "ethoxy-hydroxy-oxophosphanium"@en ;
dbo:pubchem "6328134"^^xsd:int ;
dbo:smiles "CCO[P+](=O)O" ;
dbp:inchikey "InChIKey=ZUNGGJHBMLMRFJ-UHFFFAOYSA-O" ;
skos:broader csc:CHEMONTID_0000323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fostl" ;
skos:prefLabel "fosetyl"@nl .
csc:UAEPNZWRGJTJPN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7962 ;
dbo:casNumber "108-87-2" ;
dbo:formula "C7H14" ;
dbo:inchi "InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "Methylcyclohexane"@en ;
dbo:pubchem "7962"^^xsd:int ;
dbo:smiles "CC1CCCCC1" ;
dbp:inchikey "InChIKey=UAEPNZWRGJTJPN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC6a" ;
skos:prefLabel "methylcyclohexaan"@nl .
csc:DZJTZGHZAWTWGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13558 ;
dbo:casNumber "926-82-9" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-5-8(3)7-9(4)6-2/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "3,5-DIMETHYLHEPTANE"@en ;
dbo:pubchem "13558"^^xsd:int ;
dbo:smiles "CCC(C)CC(C)CC" ;
dbp:inchikey "InChIKey=DZJTZGHZAWTWGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DC1yC5a" ;
skos:prefLabel "3,5-dimethylheptaan"@nl .
csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4931 ;
dbo:casNumber "1918-16-7" , "63704-81-4" ;
dbo:formula "C11H14ClNO" ;
dbo:inchi "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3" ;
dbo:iupacName "2-chloro-N-phenyl-N-propan-2-ylacetamide"@en ;
dbo:pubchem "4931"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=CC=C1)C(=O)CCl" ;
dbp:inchikey "InChIKey=MFOUDYKPLGXPGO-UHFFFAOYSA-N" ;
skos:altLabel "propachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_1918-16-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propCl" ;
skos:prefLabel "propachloor"@nl ;
vcs:vmmParameterId "752"^^xsd:int .
csc:BKVJOVPVLOJPKJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17241 ;
dbo:casNumber "2497-06-5" ;
dbo:formula "C8H19O4PS3" ;
dbo:inchi "InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "17241"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)(=O)CC" ;
dbp:inchikey "InChIKey=BKVJOVPVLOJPKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dsftsfn" ;
skos:prefLabel "disulfoton-sulfon"@nl .
csc:OMVSWZDEEGIJJI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23284 ;
dbo:casNumber "6846-50-0" , "53490-81-6" ;
dbo:formula "C16H30O4" ;
dbo:inchi "InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3" ;
dbo:iupacName "[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] 2-methylpropanoate"@en ;
dbo:pubchem "23284"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C" ;
dbp:inchikey "InChIKey=OMVSWZDEEGIJJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1y13C02" ;
skos:prefLabel "2,2,4-trimethyl-1,3-pentaandioldiisobutyraat"@nl .
csc:UTCJUUGCHWHUNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:115236 ;
dbo:casNumber "142363-53-9" ;
dbo:formula "C14H21NO5S" ;
dbo:inchi "InChI=1S/C14H21NO5S/c1-4-11-7-6-8-12(5-2)14(11)15(10-20-3)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)" ;
dbo:iupacName "2-[(2,6-diethylphenyl)-(methoxymethyl)amino]-2-oxoethanesulfonic acid"@en ;
dbo:pubchem "115236"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)O" ;
dbp:inchikey "InChIKey=UTCJUUGCHWHUNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alClC2asfz" ;
skos:prefLabel "alachloorethaansulfonzuur"@nl .
csc:QELSKZZBTMNZEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7175 ;
dbo:casNumber "85403-59-4" , "94-13-3" , "59593-07-6" ;
dbo:formula "C10H12O3" ;
dbo:inchi "InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3" ;
dbo:iupacName "Propyl 4-hydroxybenzoate"@en ;
dbo:pubchem "7175"^^xsd:int ;
dbo:smiles "CCCOC(=O)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=QELSKZZBTMNZEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004702 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3y4HOxbzat" ;
skos:prefLabel "propyl-4-hydroxybenzoaat"@nl .
csc:IGIDLTISMCAULB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7755 ;
dbo:casNumber "105-43-1" , "22160-40-3" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)" ;
dbo:iupacName "3-METHYLPENTANOIC ACID"@en ;
dbo:pubchem "7755"^^xsd:int ;
dbo:smiles "CCC(C)CC(=O)O" ;
dbp:inchikey "InChIKey=IGIDLTISMCAULB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC5azr" ;
skos:prefLabel "3-methylpentaanzuur"@nl .
csc:PGOOBECODWQEAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:213027 ;
dbo:casNumber "205510-92-5" , "210880-92-5" , "205510-53-8" ;
dbo:formula "C6H8ClN5O2S" ;
dbo:inchi "InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)" ;
dbo:iupacName "1-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methyl-3-nitroguanidine"@en ;
dbo:pubchem "213027"^^xsd:int ;
dbo:smiles "CN=C(NCC1=CN=C(S1)Cl)N[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=PGOOBECODWQEAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002635 ;
skos:exactMatch wise:CAS_210880-92-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clotandne" ;
skos:prefLabel "clothianidine"@nl ;
vcs:vmmParameterId "1438"^^xsd:int .
csc:FMJSMJQBSVNSBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22571 ;
dbo:casNumber "149984-83-8" , "6197-30-4" , "80135-31-5" ;
dbo:formula "C24H27NO2" ;
dbo:inchi "InChI=1S/C24H27NO2/c1-3-5-12-19(4-2)18-27-24(26)22(17-25)23(20-13-8-6-9-14-20)21-15-10-7-11-16-21/h6-11,13-16,19H,3-5,12,18H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl 2-cyano-3,3-di(phenyl)prop-2-enoate"@en ;
dbo:pubchem "22571"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C#N" ;
dbp:inchikey "InChIKey=FMJSMJQBSVNSBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octclne" ;
skos:prefLabel "octocrilene"@nl .
csc:BOEGTKLJZSQCCD-UEKVPHQBSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47965 ;
dbo:casNumber "50370-12-2" ;
dbo:formula "C16H17N3O5S" ;
dbo:inchi "InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "47965"^^xsd:int ;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O" ;
dbp:inchikey "InChIKey=BOEGTKLJZSQCCD-UEKVPHQBSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefdxl" ;
skos:prefLabel "cefadroxil"@nl .
csc:OVWYEQOVUDKZNU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12105 ;
dbo:casNumber "620-23-5" ;
dbo:formula "C8H8O" ;
dbo:inchi "InChI=1S/C8H8O/c1-7-3-2-4-8(5-7)6-9/h2-6H,1H3" ;
dbo:iupacName "3-Methylbenzaldehyde"@en ;
dbo:pubchem "12105"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)C=O" ;
dbp:inchikey "InChIKey=OVWYEQOVUDKZNU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000321 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yBenAh" ;
skos:prefLabel "3-methylbenzaldehyde"@nl .
csc:FARBQUXLIQOIDY-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62581 ;
dbo:casNumber "5538-94-3" ;
dbo:formula "C18H40ClN" ;
dbo:inchi "InChI=1S/C18H40N.ClH/c1-5-7-9-11-13-15-17-19(3,4)18-16-14-12-10-8-6-2;/h5-18H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctylazanium chloride"@en ;
dbo:pubchem "62581"^^xsd:int ;
dbo:smiles "CCCCCCCC[N+](C)(C)CCCCCCCC.[Cl-]" ;
dbp:inchikey "InChIKey=FARBQUXLIQOIDY-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DODMAC" ;
skos:prefLabel "dioctyldimethylammoniumchloride"@nl .
csc:PMZURENOXWZQFD-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24436 ;
dbo:casNumber "68140-10-3" , "68081-98-1" , "1337-28-6" , "67762-51-0" , "15124-09-1" , "7757-82-6" , "68412-82-8" ;
dbo:formula "Na2O4S" ;
dbo:inchi "InChI=1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2" ;
dbo:iupacName "Disodium sulfate"@en ;
dbo:pubchem "24436"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=PMZURENOXWZQFD-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000660 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaSO4" ;
skos:prefLabel "natriumsulfaat"@nl .
csc:CMCJNODIWQEOAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8345 ;
dbo:casNumber "117-83-9" ;
dbo:formula "C20H30O6" ;
dbo:inchi "InChI=1S/C20H30O6/c1-3-5-11-23-13-15-25-19(21)17-9-7-8-10-18(17)20(22)26-16-14-24-12-6-4-2/h7-10H,3-6,11-16H2,1-2H3" ;
dbo:iupacName "bis(2-butoxyethyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8345"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC" ;
dbp:inchikey "InChIKey=CMCJNODIWQEOAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2C4oxC2yFt" ;
skos:prefLabel "di-(2-butoxyethyl)ftalaat"@nl .
csc:LXQOQPGNCGEELI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7321 ;
dbo:casNumber "97-02-9" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2" ;
dbo:iupacName "2,4-Dinitroaniline"@en ;
dbo:pubchem "7321"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=LXQOQPGNCGEELI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DNO2An" ;
skos:prefLabel "2,4-dinitroaniline"@nl .
csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 N, N-dimethylformamide"@nl ;
rdfs:seeAlso compound:6228 ;
dbo:casNumber "15175-77-6" , "15175-63-0" , "114057-15-7" , "33513-42-7" , "68-12-2" ;
dbo:formula "C3H7NO" ;
dbo:inchi "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" ;
dbo:iupacName "N,N-Dimethylformamide"@en ;
dbo:pubchem "6228"^^xsd:int ;
dbo:smiles "CN(C)C=O" ;
dbp:inchikey "InChIKey=ZMXDDKWLCZADIW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_010 ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yfAd" ;
skos:prefLabel "dimethylformamide"@nl .
csc:VNWKTOKETHGBQD-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:105026 ;
dbo:casNumber "14762-74-4" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4/i1+1" ;
dbo:iupacName "Carbane-13"@en ;
dbo:pubchem "105026"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "InChIKey=VNWKTOKETHGBQD-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13" ;
skos:prefLabel "koolstof 13"@nl .
csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28179 ;
dbo:casNumber "16984-48-8" ;
dbo:formula "F-" ;
dbo:inchi "InChI=1S/FH/h1H/p-1" ;
dbo:iupacName "fluoride"@en ;
dbo:pubchem "28179"^^xsd:int ;
dbo:smiles "[F-]" ;
dbp:inchikey "InChIKey=KRHYYFGTRYWZRS-UHFFFAOYSA-M" ;
dct:isReferencedBy co:CMA_2_II_A.14 , co:WAC_III_C_022 , co:CMA_2_II_B.1 , co:CMA_2_I_C.1.1 , co:WAC_III_C_020 , co:CMA_2_I_C.1.2 , co:CMA_2_I_C ;
skos:broader csc:CHEMONTID_0000432 ;
skos:exactMatch wise:CAS_16984-48-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F" ;
skos:prefLabel "fluoride"@nl ;
vcs:vmmParameterId "1328"^^xsd:int , "5"^^xsd:int .
csc:VMSRVIHUFHQIAL-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31397 ;
dbo:casNumber "122544-46-1" , "191490-26-3" , "165724-02-7" , "72140-17-1" , "128-04-1" ;
dbo:formula "C3H6NNaS2" ;
dbo:inchi "InChI=1S/C3H7NS2.Na/c1-4(2)3(5)6;/h1-2H3,(H,5,6);/q;+1/p-1" ;
dbo:iupacName "sodium dimethylaminomethanedithioate"@en ;
dbo:pubchem "31397"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].[Na+]" ;
dbp:inchikey "InChIKey=VMSRVIHUFHQIAL-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaDC1yDtocbm" ;
skos:prefLabel "natriumdimethyldithiocarbamaat"@nl .
csc:OZDGMOYKSFPLSE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6377 ;
dbo:casNumber "18961-44-9" , "59204-10-3" , "18961-45-0" , "75-55-8" ;
dbo:formula "C3H7N" ;
dbo:inchi "InChI=1S/C3H7N/c1-3-2-4-3/h3-4H,2H2,1H3" ;
dbo:iupacName "2-Methylaziridine"@en ;
dbo:pubchem "6377"^^xsd:int ;
dbo:smiles "CC1CN1" ;
dbp:inchikey "InChIKey=OZDGMOYKSFPLSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000103 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3yeimne" ;
skos:prefLabel "propyleenimine"@nl .
csc:SUVIGLJNEAMWEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7848 ;
dbo:casNumber "107-03-9" , "79869-58-2" , "51285-52-0" ;
dbo:formula "C3H8S" ;
dbo:inchi "InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3" ;
dbo:iupacName "Propane-1-thiol"@en ;
dbo:pubchem "7848"^^xsd:int ;
dbo:smiles "CCCS" ;
dbp:inchikey "InChIKey=SUVIGLJNEAMWEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3atol" ;
skos:prefLabel "1-propaanthiol"@nl .
csc:YYDNBUBMBZRNQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:18521 ;
dbo:casNumber "3185-99-7" ;
dbo:formula "C8H10O2S" ;
dbo:inchi "InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3" ;
dbo:iupacName "1-methyl-4-methylsulfonylbenzene"@en ;
dbo:pubchem "18521"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=YYDNBUBMBZRNQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003276 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1asfn4C1yB" ;
skos:prefLabel "1-methaansulfonyl-4-methylbenzeen"@nl .
csc:WPRAXAOJIODQJR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:77193 ;
dbo:casNumber "3637-01-2" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)6-8(7)2/h4-6H,1-3H3" ;
dbo:iupacName "1-(3,4-dimethylphenyl)ethanone"@en ;
dbo:pubchem "77193"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)C(=O)C)C" ;
dbp:inchikey "InChIKey=WPRAXAOJIODQJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yactfnn" ;
skos:prefLabel "3,4-dimethylacetofenon"@nl .
csc:JOYRKODLDBILNP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5641 ;
dbo:casNumber "121382-27-2" , "26680-22-8" , "51-79-6" ;
dbo:formula "C3H7NO2" ;
dbo:inchi "InChI=1S/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)" ;
dbo:iupacName "Ethyl carbamate"@en ;
dbo:pubchem "5641"^^xsd:int ;
dbo:smiles "CCOC(=O)N" ;
dbp:inchikey "InChIKey=JOYRKODLDBILNP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "urtn" ;
skos:prefLabel "urethaan"@nl .
csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8814 ;
dbo:casNumber "37769-53-2" , "85771-77-3" , "140-66-9" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3" ;
dbo:iupacName "4-(2,4,4-trimethylpentan-2-yl)phenol"@en ;
dbo:pubchem "8814"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=ISAVYTVYFVQUDY-UHFFFAOYSA-N" ;
skos:altLabel "4-tert-octylfenol"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_140-66-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ttC8yFol" ;
skos:prefLabel "4-tertiair-octylfenol"@nl ;
vcs:vmmParameterId "835"^^xsd:int .
csc:HQABUPZFAYXKJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8007 ;
dbo:casNumber "85404-21-3" , "42939-72-0" , "50929-03-8" , "109-73-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-2-3-4-5/h2-5H2,1H3" ;
dbo:iupacName "butan-1-amine"@en ;
dbo:pubchem "8007"^^xsd:int ;
dbo:smiles "CCCCN" ;
dbp:inchikey "InChIKey=HQABUPZFAYXKJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC4a" ;
skos:prefLabel "1-aminobutaan"@nl .
csc:CHNQZRKUZPNOOH-UHFFFAOYSA-J
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91570 ;
dbo:casNumber "12656-69-8" , "172672-41-2" , "8018-01-7" ;
dbo:formula "C8H12MnN4S8Zn" ;
dbo:inchi "InChI=1S/2C4H8N2S4.Mn.Zn/c2*7-3(8)5-1-2-6-4(9)10;;/h2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;2*+2/p-4" ;
dbo:iupacName "zinc; manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "91570"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].C(CN=C(S)[S-])N=C(S)[S-].[Mn+2].[Zn+2]" ;
dbp:inchikey "InChIKey=CHNQZRKUZPNOOH-UHFFFAOYSA-J" ;
skos:broader csc:CHEMONTID_0004177 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manczb" ;
skos:prefLabel "mancozeb"@nl .
csc:JGKJMBOJWVAMIJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17141 ;
dbo:casNumber "2451-01-6" ;
dbo:formula "C10H22O3" ;
dbo:inchi "InChI=1S/C10H20O2.H2O/c1-9(2,11)8-4-6-10(3,12)7-5-8;/h8,11-12H,4-7H2,1-3H3;1H2" ;
dbo:iupacName "4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol hydrate"@en ;
dbo:pubchem "17141"^^xsd:int ;
dbo:smiles "CC1(CCC(CC1)C(C)(C)O)O.O" ;
dbp:inchikey "InChIKey=JGKJMBOJWVAMIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terpihdt" ;
skos:prefLabel "terpinhydraat"@nl .
csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:15600 ;
dbo:casNumber "73138-29-1" , "124-18-5" , "63335-87-5" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3" ;
dbo:iupacName "Decane"@en ;
dbo:pubchem "15600"^^xsd:int ;
dbo:smiles "CCCCCCCCCC" ;
dbp:inchikey "InChIKey=DIOQZVSQGTUSAI-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_006 , co:LUC_IV_000 ;
skos:altLabel "decaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10a" ;
skos:prefLabel "n-decaan"@nl .
csc:XIGAUIHYSDTJHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91716 ;
dbo:casNumber "73250-68-7" ;
dbo:formula "C16H14N2O2S" ;
dbo:inchi "InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3" ;
dbo:iupacName "2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide"@en ;
dbo:pubchem "91716"^^xsd:int ;
dbo:smiles "CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2" ;
dbp:inchikey "InChIKey=XIGAUIHYSDTJHW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mefnct" ;
skos:prefLabel "mefenacet"@nl .
csc:WEVYAHXRMPXWCK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6342 ;
dbo:casNumber "54841-72-4" , "75-05-8" , "26809-02-9" ;
dbo:formula "C2H3N" ;
dbo:inchi "InChI=1S/C2H3N/c1-2-3/h1H3" ;
dbo:iupacName "Acetonitrile"@en ;
dbo:pubchem "6342"^^xsd:int ;
dbo:smiles "CC#N" ;
dbp:inchikey "InChIKey=WEVYAHXRMPXWCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actntl" ;
skos:prefLabel "acetonitril"@nl .
csc:YIKWKLYQRFRGPM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17110 ;
dbo:casNumber "2439-10-3" , "112-65-2" , "51426-08-5" , "15880-99-6" , "96923-04-5" ;
dbo:formula "C15H33N3O2" ;
dbo:inchi "InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 2-dodecylguanidine"@en ;
dbo:pubchem "17110"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN=C(N)N.CC(=O)O" ;
dbp:inchikey "InChIKey=YIKWKLYQRFRGPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000375 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dodne" ;
skos:prefLabel "dodine"@nl .
csc:VDQQXEISLMTGAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3641960 ;
dbo:casNumber "72793-59-0" , "1576-40-5" , "127-65-1" , "144-86-5" , "75532-46-6" , "8045-11-2" ;
dbo:formula "C7H7ClNNaO2S" ;
dbo:inchi "InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1" ;
dbo:iupacName "['sodium chloro-(4-methylphenyl)sulfonylazanide', 'sodium N-chloro-4-methylbenzenesulfonimidate']"@en ;
dbo:pubchem "3641960"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.[Na+]" ;
dbp:inchikey "InChIKey=VDQQXEISLMTGAB-UHFFFAOYSA-N" ;
skos:altLabel "chlooramine-t"@nl ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClAeT" ;
skos:prefLabel "chlooramine-T"@nl .
csc:GQXSDDHYUVYJCQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:140270 ;
dbo:casNumber "17682-70-1" ;
dbo:formula "C12H20O6" ;
dbo:inchi "InChI=1S/C12H20O6/c1-10(2)14-5-7-8(16-10)9-12(6-13,15-7)18-11(3,4)17-9/h7-9,13H,5-6H2,1-4H3" ;
dbo:iupacName "(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)methanol"@en ;
dbo:pubchem "140270"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)CO)C" ;
dbp:inchikey "InChIKey=GQXSDDHYUVYJCQ-UHFFFAOYSA-N" ;
skos:altLabel "diaceton-l-sorbose"@nl ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DactLsbse" ;
skos:prefLabel "diaceton-L-sorbose"@nl .
csc:COAUHYBSXMIJDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61112 ;
dbo:casNumber "422-56-0" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(5)2(6,7)3(8,9)10/h1H" ;
dbo:iupacName "3,3-DICHLORO-1,1,1,2,2-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "61112"^^xsd:int ;
dbo:smiles "C(C(C(F)(F)F)(F)F)(Cl)Cl" ;
dbp:inchikey "InChIKey=COAUHYBSXMIJDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ca" ;
skos:prefLabel "3,3-dichloor-1,1,1,2,2-pentafluorpropaan"@nl .
csc:RGSFGYAAUTVSQA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9253 ;
dbo:casNumber "68476-56-2" , "287-92-3" ;
dbo:formula "C5H10" ;
dbo:inchi "InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2" ;
dbo:iupacName "Cyclopentane"@en ;
dbo:pubchem "9253"^^xsd:int ;
dbo:smiles "C1CCCC1" ;
dbp:inchikey "InChIKey=RGSFGYAAUTVSQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ccC5a" ;
skos:prefLabel "cyclopentaan"@nl .
csc:PNVJTZOFSHSLTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3346 ;
dbo:casNumber "55-38-9" ;
dbo:formula "C10H15O3PS2" ;
dbo:inchi "InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3" ;
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "3346"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)SC" ;
dbp:inchikey "InChIKey=PNVJTZOFSHSLTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_55-38-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenton" ;
skos:prefLabel "fenthion"@nl ;
vcs:vmmParameterId "500"^^xsd:int .
csc:FRQMUZJSZHZSGN-HBNHAYAOSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10631 ;
dbo:casNumber "520-85-4" ;
dbo:formula "C22H32O3" ;
dbo:inchi "InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1" ;
dbo:iupacName "(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "10631"^^xsd:int ;
dbo:smiles "CC1CC2C(CCC3(C2CCC3(C(=O)C)O)C)C4(C1=CC(=O)CC4)C" ;
dbp:inchikey "InChIKey=FRQMUZJSZHZSGN-HBNHAYAOSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "medxprgtrn" ;
skos:prefLabel "medroxyprogesteron"@nl .
csc:PZBLUWVMZMXIKZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6785 ;
dbo:casNumber "84-72-0" ;
dbo:formula "C14H16O6" ;
dbo:inchi "InChI=1S/C14H16O6/c1-3-18-12(15)9-20-14(17)11-8-6-5-7-10(11)13(16)19-4-2/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "O1-(2-ethoxy-2-oxoethyl) O2-ethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6785"^^xsd:int ;
dbo:smiles "CCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCC" ;
dbp:inchikey "InChIKey=PZBLUWVMZMXIKZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yFtyC2ygcl" ;
skos:prefLabel "ethyl ftalyl ethyl glycolaat"@nl .
csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8418 ;
dbo:casNumber "120-12-7" ;
dbo:formula "C14H10" ;
dbo:inchi "InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H" ;
dbo:iupacName "ANTHRACENE"@en ;
dbo:pubchem "8418"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C3C=CC=CC3=CC2=C1" ;
dbp:inchikey "InChIKey=MWPLVEDNUUSJAV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "antraceen"@nl ;
skos:broader csc:CHEMONTID_0000018 ;
skos:exactMatch wise:CAS_120-12-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ant" ;
skos:prefLabel "anthraceen"@nl ;
vcs:vmmParameterId "1421"^^xsd:int , "419"^^xsd:int .
csc:LGCMKPRGGJRYGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4602 ;
dbo:casNumber "526-18-1" ;
dbo:formula "C13H11NO3" ;
dbo:inchi "InChI=1S/C13H11NO3/c15-10-7-5-9(6-8-10)14-13(17)11-3-1-2-4-12(11)16/h1-8,15-16H,(H,14,17)" ;
dbo:iupacName "2-Hydroxy-N-(4-hydroxyphenyl)benzamide"@en ;
dbo:pubchem "4602"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)O)O" ;
dbp:inchikey "InChIKey=LGCMKPRGGJRYGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "osmd" ;
skos:prefLabel "osalmid"@nl .
csc:KXYDGGNWZUHESZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:97788 ;
dbo:casNumber "122970-84-7" , "122970-88-1" , "472-41-3" , "122970-82-5" , "35485-38-2" , "122970-86-9" , "122970-81-4" , "122970-85-8" , "122970-87-0" , "56954-97-3" , "122970-83-6" ;
dbo:formula "C18H20O2" ;
dbo:inchi "InChI=1S/C18H20O2/c1-17(2)12-18(3,13-8-10-14(19)11-9-13)15-6-4-5-7-16(15)20-17/h4-11,19H,12H2,1-3H3" ;
dbo:iupacName "4-(2,2,4-trimethylchroman-4-yl)phenol"@en ;
dbo:pubchem "97788"^^xsd:int ;
dbo:smiles "CC1(CC(C2=CC=CC=C2O1)(C)C3=CC=C(C=C3)O)C" ;
dbp:inchikey "InChIKey=KXYDGGNWZUHESZ-UHFFFAOYSA-N" ;
skos:altLabel "4-(3,4-dihydro-2,2,4-trimethyl-2H-1-benzopyran-4-yl)fenol"@nl ;
skos:broader csc:CHEMONTID_0002581 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "434DH224TC1y" ;
skos:prefLabel "4-(3,4-dihydro-2,2,4-trimethyl-2h-1-benzopyran-4-yl)fenol"@nl .
csc:WERYXYBDKMZEQL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8064 ;
dbo:casNumber "732189-03-6" , "28324-25-6" , "110-63-4" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2" ;
dbo:iupacName "Butane-1,4-diol"@en ;
dbo:pubchem "8064"^^xsd:int ;
dbo:smiles "C(CCO)CO" ;
dbp:inchikey "InChIKey=WERYXYBDKMZEQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDol" ;
skos:prefLabel "1,4-butaandiol"@nl .
csc:GGYKPYDKXLHNTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12523 ;
dbo:casNumber "638-36-8" ;
dbo:formula "C20H42" ;
dbo:inchi "InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3" ;
dbo:iupacName "2,6,10,14-TETRAMETHYLHEXADECANE"@en ;
dbo:pubchem "12523"^^xsd:int ;
dbo:smiles "CCC(C)CCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=GGYKPYDKXLHNTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "261014T4C102" ;
skos:prefLabel "2,6,10,14-tetramethylhexadecaan"@nl .
csc:SXFLURRQRFKBNN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:63101 ;
dbo:casNumber "70362-49-1" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-2-7(4-9)8-5-10(14)12(16)11(15)6-8/h1-6H" ;
dbo:iupacName "1,2,3-trichloro-5-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "63101"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SXFLURRQRFKBNN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB78" ;
skos:prefLabel "3,3',4,5-tetrachloorbifenyl"@nl .
csc:RSJKGSCJYJTIGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:14257 ;
dbo:casNumber "1120-21-4" , "61193-21-3" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3" ;
dbo:iupacName "Undecane"@en ;
dbo:pubchem "14257"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC" ;
dbp:inchikey "InChIKey=RSJKGSCJYJTIGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11a" ;
skos:prefLabel "undecaan"@nl .
csc:RGCVKNLCSQQDEP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4748 ;
dbo:casNumber "58-39-9" ;
dbo:formula "C21H26ClN3OS" ;
dbo:inchi "InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2" ;
dbo:iupacName "2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "4748"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO" ;
dbp:inchikey "InChIKey=RGCVKNLCSQQDEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perfazne" ;
skos:prefLabel "perfenazine"@nl .
csc:DPJCXCZTLWNFOH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6946 ;
dbo:casNumber "88-74-4" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "2-Nitroaniline"@en ;
dbo:pubchem "6946"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=DPJCXCZTLWNFOH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2NO2An" ;
skos:prefLabel "2-nitroaniline"@nl .
csc:QUYFPNWYGLFQQU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93071 ;
dbo:casNumber "13151-35-4" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-4-6-8-10-11(3)9-7-5-2/h11H,4-10H2,1-3H3" ;
dbo:iupacName "5-Methyldecane"@en ;
dbo:pubchem "93071"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCCC" ;
dbp:inchikey "InChIKey=QUYFPNWYGLFQQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1yC10a" ;
skos:prefLabel "5-methyldecaan"@nl .
csc:UQJQVUOTMVCFHX-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8891 ;
dbo:casNumber "111-54-6" , "142-59-6" ;
dbo:formula "C4H6N2Na2S4" ;
dbo:inchi "InChI=1S/C4H8N2S4.2Na/c7-3(8)5-1-2-6-4(9)10;;/h1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;2*+1/p-2" ;
dbo:iupacName "disodium [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "8891"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=UQJQVUOTMVCFHX-UHFFFAOYSA-L" ;
skos:altLabel "ethyleenbisdithiocarbamaat"@nl ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yebDtocbmt" , "nabm" ;
skos:prefLabel "nabam"@nl .
csc:UHGULLIUJBCTEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8706 ;
dbo:casNumber "120045-46-7" , "35858-53-8" , "136-95-8" ;
dbo:formula "C7H6N2S" ;
dbo:inchi "InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)" ;
dbo:iupacName "1,3-benzothiazol-2-amine"@en ;
dbo:pubchem "8706"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)N" ;
dbp:inchikey "InChIKey=UHGULLIUJBCTEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aobztzl" ;
skos:prefLabel "2-aminobenzothiazool"@nl .
csc:MQIUGAXCHLFZKX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8346 ;
dbo:casNumber "117-84-0" , "68515-43-5" , "8031-29-6" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3" ;
dbo:iupacName "dioctyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "8346"^^xsd:int ;
dbo:smiles "CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC" ;
dbp:inchikey "InChIKey=MQIUGAXCHLFZKX-UHFFFAOYSA-N" ;
skos:altLabel "di-n-octylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC8yFt" ;
skos:prefLabel "dioctylftalaat"@nl .
csc:GECHUMIMRBOMGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5336 ;
dbo:casNumber "144-83-2" ;
dbo:formula "C11H11N3O2S" ;
dbo:inchi "InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)" ;
dbo:iupacName "4-amino-N-pyridin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5336"^^xsd:int ;
dbo:smiles "C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=GECHUMIMRBOMGK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfprdne" ;
skos:prefLabel "sulfapyridine"@nl .
csc:PAAZPARNPHGIKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7839 ;
dbo:casNumber "106-93-4" , "624-61-3" , "8003-07-4" ;
dbo:formula "C2H4Br2" ;
dbo:inchi "InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2" ;
dbo:iupacName "['1,2-dibromoethyne', '1,2-Dibromoethane']"@en ;
dbo:pubchem "7839"^^xsd:int ;
dbo:smiles "C(CBr)Br" ;
dbp:inchikey "InChIKey=PAAZPARNPHGIKF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:broader csc:CHEMONTID_0001515 ;
skos:exactMatch wise:CAS_106-93-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBrC2a" ;
skos:prefLabel "1,2-dibroomethaan"@nl ;
vcs:vmmParameterId "471"^^xsd:int .
csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5462311 ;
dbo:casNumber "7440-42-8" ;
dbo:formula "B" ;
dbo:inchi "InChI=1S/B" ;
dbo:iupacName "Boron"@en ;
dbo:pubchem "5462311"^^xsd:int ;
dbo:smiles "[B]" ;
dbp:inchikey "InChIKey=ZOXJGFHDIHLPTG-UHFFFAOYSA-N" ;
skos:altLabel "boor, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:exactMatch wise:CAS_7440-42-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "B" ;
skos:prefLabel "boor"@nl ;
vcs:vmmParameterId "1989"^^xsd:int , "144"^^xsd:int , "145"^^xsd:int , "146"^^xsd:int , "1921"^^xsd:int .
csc:VRBKIVRKKCLPHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4449 ;
dbo:casNumber "83366-66-9" ;
dbo:formula "C25H32ClN5O2" ;
dbo:inchi "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3" ;
dbo:iupacName "2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one"@en ;
dbo:pubchem "4449"^^xsd:int ;
dbo:smiles "CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl" ;
dbp:inchikey "InChIKey=VRBKIVRKKCLPHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001984 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nefzdne" ;
skos:prefLabel "nefazodone"@nl .
csc:VKYKSIONXSXAKP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4101 ;
dbo:casNumber "56549-34-9" , "100-97-0" , "15978-33-3" , "24911-88-4" , "74734-16-0" , "11103-67-6" , "91773-48-7" ;
dbo:formula "C6H12N4" ;
dbo:inchi "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2" ;
dbo:iupacName "1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane"@en ;
dbo:pubchem "4101"^^xsd:int ;
dbo:smiles "C1N2CN3CN1CN(C2)C3" ;
dbp:inchikey "InChIKey=VKYKSIONXSXAKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yeT4Ae" ;
skos:prefLabel "hexamethyleentetramine (Urotropine)"@nl .
csc:KFSLACSYHBJOPS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
dbo:casNumber "900-95-8" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C6H5.C2H3O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3;" ;
dbo:iupacName "tri(phenyl)stannyl acetate"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=KFSLACSYHBJOPS-UHFFFAOYSA-N" ;
skos:altLabel "trifenyltinacetaat"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fentactt" ;
skos:prefLabel "fentinacetaat"@nl .
csc:FITIWKDOCAUBQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:36870 ;
dbo:casNumber "34643-46-4" , "64772-54-9" ;
dbo:formula "C11H15Cl2O2PS2" ;
dbo:inchi "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3" ;
dbo:iupacName "(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "36870"^^xsd:int ;
dbo:smiles "CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=FITIWKDOCAUBQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protofs" ;
skos:prefLabel "prothiofos"@nl .
csc:ALZOLUNSQWINIR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91749 ;
dbo:casNumber "90717-03-6" ;
dbo:formula "C11H8ClNO2" ;
dbo:inchi "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)" ;
dbo:iupacName "7-Chloro-3-methylquinoline-8-carboxylic acid"@en ;
dbo:pubchem "91749"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1" ;
dbp:inchikey "InChIKey=ALZOLUNSQWINIR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quinmrc" ;
skos:prefLabel "quinmerac"@nl .
csc:LNDUTAIPEYOCDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41736 ;
dbo:casNumber "56073-10-0" , "80449-88-3" ;
dbo:formula "C31H23BrO3" ;
dbo:inchi "InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2" ;
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one"@en ;
dbo:pubchem "41736"^^xsd:int ;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br" ;
dbp:inchikey "InChIKey=LNDUTAIPEYOCDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002044 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "brodfcm" ;
skos:prefLabel "brodifacum"@nl .
csc:VBCVPMMZEGZULK-NRFANRHFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:107720 ;
dbo:casNumber "174060-41-4" , "173584-44-6" ;
dbo:formula "C22H17ClF3N3O7" ;
dbo:inchi "InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1" ;
dbo:iupacName "methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate"@en ;
dbo:pubchem "107720"^^xsd:int ;
dbo:smiles "COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl" ;
dbp:inchikey "InChIKey=VBCVPMMZEGZULK-NRFANRHFSA-N" ;
skos:altLabel "indoxacarb (s-isomeer)"@nl ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indxcb" ;
skos:prefLabel "indoxacarb (S-isomeer)"@nl .
csc:NFGXHKASABOEEW-LDRANXPESA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5366546 ;
dbo:casNumber "40596-69-8" , "52020-07-2" , "208035-61-4" , "36557-27-4" , "208035-62-5" , "41205-06-5" , "65733-16-6" , "134678-54-9" ;
dbo:formula "C19H34O3" ;
dbo:inchi "InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+" ;
dbo:iupacName "['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate']"@en ;
dbo:pubchem "5366546"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC" ;
dbp:inchikey "InChIKey=NFGXHKASABOEEW-LDRANXPESA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metpn" ;
skos:prefLabel "methopreen"@nl .
csc:JDMFXJULNGEPOI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11846 ;
dbo:casNumber "608-31-1" , "51225-19-5" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2" ;
dbo:iupacName "2,6-DICHLOROANILINE"@en ;
dbo:pubchem "11846"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)N)Cl" ;
dbp:inchikey "InChIKey=JDMFXJULNGEPOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_608-31-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClAn" ;
skos:prefLabel "2,6-dichlooraniline"@nl ;
vcs:vmmParameterId "46"^^xsd:int .
csc:PZBPKYOVPCNPJY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37175 ;
dbo:casNumber "35554-44-0" ;
dbo:formula "C14H14Cl2N2O" ;
dbo:inchi "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole"@en ;
dbo:pubchem "37175"^^xsd:int ;
dbo:smiles "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=PZBPKYOVPCNPJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002542 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imzll" ;
skos:prefLabel "imazalil"@nl .
csc:JQRZBPFGBRIWSN-YOTVLOEGSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:56329 ;
dbo:casNumber "88768-40-5" , "92077-78-6" ;
dbo:formula "C22H33N3O6" ;
dbo:inchi "InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1" ;
dbo:iupacName "(1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid hydrate"@en ;
dbo:pubchem "56329"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.O" ;
dbp:inchikey "InChIKey=JQRZBPFGBRIWSN-YOTVLOEGSA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cilzpl" ;
skos:prefLabel "cilazapril"@nl .
csc:CUTPKDUMZWIJKT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:94258 ;
dbo:casNumber "3330-15-2" ;
dbo:formula "C5HF11O" ;
dbo:inchi "InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H" ;
dbo:iupacName "1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane"@en ;
dbo:pubchem "94258"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F" ;
dbp:inchikey "InChIKey=CUTPKDUMZWIJKT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "F7C3yF4C2yEt" ;
skos:prefLabel "heptafluorpropyl 1,2,2,2-tetrafluorethylether"@nl .
csc:KVFIJIWMDBAGDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26331 ;
dbo:casNumber "1392-50-3" , "13925-00-3" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3" ;
dbo:iupacName "2-ETHYLPYRAZINE"@en ;
dbo:pubchem "26331"^^xsd:int ;
dbo:smiles "CCC1=NC=CN=C1" ;
dbp:inchikey "InChIKey=KVFIJIWMDBAGDP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000067 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yprzne" ;
skos:prefLabel "2-ethylpyrazine"@nl .
csc:JYCQQPHGFMYQCF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5590 ;
dbo:casNumber "81398-86-9" , "13463-07-5" , "9077-65-0" , "39409-11-5" , "2315-67-5" , "111287-03-7" , "9010-43-9" , "66057-82-7" , "66057-69-0" , "9010-42-8" , "9002-93-1" , "63869-93-2" , "125692-92-4" , "66057-68-9" ;
dbo:formula "C16H26O2" ;
dbo:inchi "InChI=1S/C16H26O2/c1-15(2,3)12-16(4,5)13-6-8-14(9-7-13)18-11-10-17/h6-9,17H,10-12H2,1-5H3" ;
dbo:iupacName "2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol"@en ;
dbo:pubchem "5590"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO" ;
dbp:inchikey "InChIKey=JYCQQPHGFMYQCF-UHFFFAOYSA-N" ;
skos:altLabel "triton x-100"@nl , "octoxynol-1"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "octxnl1" , "tritx100" ;
skos:prefLabel "triton X-100"@nl .
csc:IKHGUXGNUITLKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:177 ;
dbo:casNumber "75-07-0" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3/h2H,1H3" ;
dbo:iupacName "acetaldehyde"@en ;
dbo:pubchem "177"^^xsd:int ;
dbo:smiles "CC=O" ;
dbp:inchikey "InChIKey=IKHGUXGNUITLKF-UHFFFAOYSA-N" ;
skos:altLabel "ethanal"@nl , "acetaldehyde "@nl ;
skos:broader csc:CHEMONTID_0002230 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2al" ;
skos:prefLabel "acetaldehyde"@nl .
csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19520 ;
dbo:casNumber "29555-44-0" , "39765-80-5" , "3734-49-4" , "24143-69-9" , "5103-73-1" ;
dbo:formula "C10H5Cl9" ;
dbo:inchi "InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H" ;
dbo:iupacName "1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "19520"^^xsd:int ;
dbo:smiles "C12C(C(C(C1Cl)Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OCHOKXCPKDPNQU-UHFFFAOYSA-N" ;
skos:altLabel "trans-nonachloor"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_39765-80-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tNnCl" , "cNnCl" ;
skos:prefLabel "cis-nonachloor"@nl ;
vcs:vmmParameterId "2091"^^xsd:int .
csc:OIQRYZXXBZHDRY-NNIZZXHBSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6321395 ;
dbo:casNumber "7481-49-4" , "64553-71-5" , "3761-53-3" ;
dbo:formula "C18H14N2Na2O7S2" ;
dbo:inchi "InChI=1S/C18H16N2O7S2.2Na/c1-10-3-6-15(11(2)7-10)19-20-17-14-9-13(28(22,23)24)5-4-12(14)8-16(18(17)21)29(25,26)27;;/h3-9,19H,1-2H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-17+;;" ;
dbo:iupacName "disodium (4E)-4-[(2,4-dimethylphenyl)hydrazinylidene]-3-oxonaphthalene-2,6-disulfonate"@en ;
dbo:pubchem "6321395"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)NN=C2C3=C(C=CC(=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=OIQRYZXXBZHDRY-NNIZZXHBSA-L" ;
skos:altLabel "c.i. food red 5"@nl ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cifrd5" ;
skos:prefLabel "C.I. Food Red 5"@nl .
csc:ZGCHATBSUIJLRL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24842 ;
dbo:casNumber "10034-93-2" , "13464-80-7" , "1184-66-3" , "95416-15-2" ;
dbo:formula "H6N2O4S" ;
dbo:inchi "InChI=1S/H4N2.H2O4S/c1-2;1-5(2,3)4/h1-2H2;(H2,1,2,3,4)" ;
dbo:iupacName "hydrazine; sulfuric acid"@en ;
dbo:pubchem "24842"^^xsd:int ;
dbo:smiles "NN.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=ZGCHATBSUIJLRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hydznSO4" ;
skos:prefLabel "hydrazinesulfaat"@nl .
csc:DNIAPMSPPWPWGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1030 ;
dbo:casNumber "4254-16-4" , "4254-15-3" , "190913-75-8" , "57-55-6" , "63625-56-9" ;
dbo:formula "C3H8O2" ;
dbo:inchi "InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3" ;
dbo:iupacName "PROPANE-1,2-DIOL"@en ;
dbo:pubchem "1030"^^xsd:int ;
dbo:smiles "CC(CO)O" ;
dbp:inchikey "InChIKey=DNIAPMSPPWPWGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C3yegcl" ;
skos:prefLabel "1,2-propyleenglycol"@nl .
csc:VHQQPFLOGSTQPC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12413 ;
dbo:casNumber "630-07-9" ;
dbo:formula "C35H72" ;
dbo:inchi "InChI=1S/C35H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3" ;
dbo:iupacName "Pentatriacontane"@en ;
dbo:pubchem "12413"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=VHQQPFLOGSTQPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C35a" ;
skos:prefLabel "pentatriacontaan"@nl .
csc:NPOJQCVWMSKXDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2943 ;
dbo:casNumber "87209-56-1" , "65862-98-8" , "1861-32-1" ;
dbo:formula "C10H6Cl4O4" ;
dbo:inchi "InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3" ;
dbo:iupacName "Dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate"@en ;
dbo:pubchem "2943"^^xsd:int ;
dbo:smiles "COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)OC)Cl)Cl" ;
dbp:inchikey "InChIKey=NPOJQCVWMSKXDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltDC1y" ;
skos:prefLabel "chloorthal-dimethyl"@nl .
csc:WNMLTOIDDCEBNY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:118274 ;
dbo:casNumber "36065-30-2" ;
dbo:formula "C10H9Br5O" ;
dbo:inchi "InChI=1S/C10H9Br5O/c1-10(15,4-11)5-16-9-7(13)2-6(12)3-8(9)14/h2-3H,4-5H2,1H3" ;
dbo:iupacName "1,3,5-Tribromo-2-(2,3-dibromo-2-methylpropoxy)benzene"@en ;
dbo:pubchem "118274"^^xsd:int ;
dbo:smiles "CC(COC1=C(C=C(C=C1Br)Br)Br)(CBr)Br" ;
dbp:inchikey "InChIKey=WNMLTOIDDCEBNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TBr223DBr" ;
skos:prefLabel "1,3,5-tribroom-2-(2,3-dibroom-2-methylpropoxy)benzeen"@nl .
csc:IOUNQDKNJZEDEP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4793 ;
dbo:casNumber "2310-17-0" , "29562-46-7" , "54182-71-7" , "11129-09-2" ;
dbo:formula "C12H15ClNO4PS2" ;
dbo:inchi "InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3" ;
dbo:iupacName "6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one"@en ;
dbo:pubchem "4793"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O" ;
dbp:inchikey "InChIKey=IOUNQDKNJZEDEP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001973 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosln" ;
skos:prefLabel "fosalon"@nl .
csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl ;
rdfs:seeAlso compound:6568 ;
dbo:casNumber "4221-99-2" , "15892-23-6" , "78-92-2" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3" ;
dbo:iupacName "Butan-2-ol"@en ;
dbo:pubchem "6568"^^xsd:int ;
dbo:smiles "CCC(C)O" ;
dbp:inchikey "InChIKey=BTANRVKWQNVYAZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_009 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:altLabel "s-butanol"@nl ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4ol" ;
skos:prefLabel "2-butanol"@nl .
csc:RXDMAYSSBPYBFW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153847 ;
dbo:casNumber "104030-54-8" ;
dbo:formula "C15H18Cl3NO" ;
dbo:inchi "InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)" ;
dbo:iupacName "2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropane-1-carboxamide"@en ;
dbo:pubchem "153847"^^xsd:int ;
dbo:smiles "CCC1(C(C1(Cl)Cl)C)C(=O)NC(C)C2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=RXDMAYSSBPYBFW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carppAd" ;
skos:prefLabel "carpropamide"@nl .
csc:DTDSAWVUFPGDMX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:177863 ;
dbo:casNumber "148477-71-8" ;
dbo:formula "C21H24Cl2O4" ;
dbo:inchi "InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(14-9-8-13(22)12-15(14)23)18(24)27-21(17)10-6-5-7-11-21/h8-9,12H,4-7,10-11H2,1-3H3" ;
dbo:iupacName "[3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate"@en ;
dbo:pubchem "177863"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(=O)OC1=C(C(=O)OC12CCCCC2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=DTDSAWVUFPGDMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirdcfn" ;
skos:prefLabel "spirodiclofen"@nl .
csc:URDNHJIVMYZFRT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:53309 ;
dbo:casNumber "75432-64-3" , "66345-62-8" , "75736-33-3" , "83940-00-5" ;
dbo:formula "C15H19Cl2N3O" ;
dbo:inchi "InChI=1S/C15H19Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-5,7-9,13-14,21H,6H2,1-3H3" ;
dbo:iupacName "1-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol"@en ;
dbo:pubchem "53309"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=URDNHJIVMYZFRT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dcbtzl" ;
skos:prefLabel "diclobutrazool"@nl .
csc:VJYIFXVZLXQVHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:47491 ;
dbo:casNumber "64902-72-3" , "79793-04-7" , "112143-77-8" ;
dbo:formula "C12H12ClN5O4S" ;
dbo:inchi "InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)" ;
dbo:iupacName "1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea"@en ;
dbo:pubchem "47491"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl" ;
dbp:inchikey "InChIKey=VJYIFXVZLXQVHO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clsfrn" ;
skos:prefLabel "chloorsulfuron"@nl .
csc:LHRIICYSGQGXSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19052 ;
dbo:casNumber "3531-19-9" ;
dbo:formula "C6H4ClN3O4" ;
dbo:inchi "InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2" ;
dbo:iupacName "2-Chloro-4,6-dinitroaniline"@en ;
dbo:pubchem "19052"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=LHRIICYSGQGXSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "6Cl24DNO2An" ;
skos:prefLabel "6-chloor-2,4-dinitroaniline"@nl .
csc:VHLKTXFWDRXILV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:176879 ;
dbo:casNumber "149877-41-8" ;
dbo:formula "C17H20N2O3" ;
dbo:inchi "InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)" ;
dbo:iupacName "propan-2-yl N-[(2-methoxy-5-phenylphenyl)amino]carbamate"@en ;
dbo:pubchem "176879"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NNC1=C(C=CC(=C1)C2=CC=CC=C2)OC" ;
dbp:inchikey "InChIKey=VHLKTXFWDRXILV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bifnzt" ;
skos:prefLabel "bifenazaat"@nl .
csc:DBUXSCUEGJMZAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6860 ;
dbo:casNumber "22967-92-6" ;
dbo:formula "CH3Hg+" ;
dbo:inchi "InChI=1S/CH3.Hg/h1H3;/q;+1" ;
dbo:iupacName "Methylmercury"@en ;
dbo:pubchem "6860"^^xsd:int ;
dbo:smiles "C[Hg+]" ;
dbp:inchikey "InChIKey=DBUXSCUEGJMZAE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004443 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yHg" ;
skos:prefLabel "methylkwik"@nl .
csc:VOWZNBNDMFLQGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7259 ;
dbo:casNumber "95-78-3" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-7(2)8(9)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,5-Dimethylaniline"@en ;
dbo:pubchem "7259"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)N" ;
dbp:inchikey "InChIKey=VOWZNBNDMFLQGM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004211 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25xyldne" ;
skos:prefLabel "2,5-xylidine"@nl .
csc:HXNFUBHNUDHIGC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4644 ;
dbo:casNumber "2465-59-0" ;
dbo:formula "C5H4N4O2" ;
dbo:inchi "InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)" ;
dbo:iupacName "1,2-dihydropyrazolo[4,3-e]pyrimidine-4,6-dione"@en ;
dbo:pubchem "4644"^^xsd:int ;
dbo:smiles "C1=C2C(=NC(=O)NC2=O)NN1" ;
dbp:inchikey "InChIKey=HXNFUBHNUDHIGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oxprnl" ;
skos:prefLabel "oxypurinol"@nl .
csc:XLYOFNOQVPJJNP-ZSJDYOACSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24602 ;
dbo:casNumber "156428-50-1" , "39388-36-8" , "7789-20-0" ;
dbo:formula "H2O" ;
dbo:inchi "InChI=1S/H2O/h1H2/i/hD2" ;
dbo:iupacName "deuterated water"@en ;
dbo:pubchem "24602"^^xsd:int ;
dbo:smiles "O" ;
dbp:inchikey "InChIKey=XLYOFNOQVPJJNP-ZSJDYOACSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "D2O" ;
skos:prefLabel "deuterium oxide (zwaar water)"@nl .
csc:XEZVDURJDFGERA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17085 ;
dbo:casNumber "93966-37-1" , "98978-62-2" , "2433-96-7" , "94087-10-2" ;
dbo:formula "C23H46O2" ;
dbo:inchi "InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)" ;
dbo:iupacName "TRICOSANOIC ACID"@en ;
dbo:pubchem "17085"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=XEZVDURJDFGERA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002950 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C23azr" ;
skos:prefLabel "tricosaanzuur"@nl .
csc:IHPXJGBVRWFEJB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:19944 ;
dbo:casNumber "4032-93-3" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-8(2)6-7-10(5)9(3)4/h8-10H,6-7H2,1-5H3" ;
dbo:iupacName "2,3,6-TRIMETHYLHEPTANE"@en ;
dbo:pubchem "19944"^^xsd:int ;
dbo:smiles "CC(C)CCC(C)C(C)C" ;
dbp:inchikey "InChIKey=IHPXJGBVRWFEJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "236TC1yC7a" ;
skos:prefLabel "2,3,6-trimethylheptaan"@nl .
csc:AMHNZOICSMBGDH-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8873 ;
dbo:casNumber "9006-42-2" , "12122-67-7" ;
dbo:formula "C4H6N2S4Zn" ;
dbo:inchi "InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" ;
dbo:iupacName "zinc [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "8873"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Zn+2]" ;
dbp:inchikey "InChIKey=AMHNZOICSMBGDH-UHFFFAOYSA-L" ;
skos:altLabel "zineb"@nl ;
skos:broader csc:CHEMONTID_0004306 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metrm" , "zinb" ;
skos:prefLabel "metiram"@nl .
csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5757 ;
dbo:casNumber "50-28-2" , "73459-61-7" ;
dbo:formula "C18H24O2" ;
dbo:inchi "InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "5757"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N" ;
skos:altLabel "17beta-estradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_50-28-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17bestDol" ;
skos:prefLabel "17-beta-estradiol"@nl ;
vcs:vmmParameterId "964"^^xsd:int .
csc:KSQXVLVXUFHGJQ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8587 ;
dbo:casNumber "132-27-4" , "6152-33-6" ;
dbo:formula "C12H9NaO" ;
dbo:inchi "InChI=1S/C12H10O.Na/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;/h1-9,13H;/q;+1/p-1" ;
dbo:iupacName "sodium 2-phenylphenolate"@en ;
dbo:pubchem "8587"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2[O-].[Na+]" ;
dbp:inchikey "InChIKey=KSQXVLVXUFHGJQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaoFyfnt" ;
skos:prefLabel "natrium-ortho-fenylfenaat"@nl .
csc:WEAYCYAIVOIUMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:69030 ;
dbo:casNumber "599-66-6" ;
dbo:formula "C14H14O2S" ;
dbo:inchi "InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3" ;
dbo:iupacName "1-methyl-4-(4-methylphenyl)sulfonylbenzene"@en ;
dbo:pubchem "69030"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C" ;
dbp:inchikey "InChIKey=WEAYCYAIVOIUMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003276 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1y44C1yBen" ;
skos:prefLabel "1-methyl-4-(4-methylbenzeensulfonyl) benzeen"@nl .
csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37037 ;
dbo:casNumber "35065-30-6" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "37037"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RMPWIIKNWPVWNG-UHFFFAOYSA-N" ;
skos:altLabel "2,2',3,3',4,4',5-heptachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-30-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB170" ;
skos:prefLabel "2,2',3,3',4,4',5-heptachloorbifenyl (pcb170)"@nl ;
vcs:vmmParameterId "759"^^xsd:int .
csc:HCRWJJJUKUVORR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13904 ;
dbo:casNumber "1014-69-3" ;
dbo:formula "C8H15N5S" ;
dbo:inchi "InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)" ;
dbo:iupacName "N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13904"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)NC)SC" ;
dbp:inchikey "InChIKey=HCRWJJJUKUVORR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_1014-69-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desmtn" ;
skos:prefLabel "desmetryn"@nl ;
vcs:vmmParameterId "529"^^xsd:int .
csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:154083 ;
dbo:casNumber "189084-64-8" ;
dbo:formula "C12H5Br5O" ;
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-2-11(8(15)3-6)18-12-9(16)4-7(14)5-10(12)17/h1-5H" ;
dbo:iupacName "1,3,5-Tribromo-2-(2,4-dibromophenoxy)benzene"@en ;
dbo:pubchem "154083"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2Br)Br)Br" ;
dbp:inchikey "InChIKey=NSKIRYMHNFTRLR-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,4',6-pentabroomdifenylether (bde100)"@nl , "2,2',4,4',6-pentabroomdifenylether"@nl ;
skos:broader csc:CHEMONTID_0001845 ;
skos:exactMatch wise:CAS_189084-64-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE100" ;
skos:prefLabel "bde 100"@nl ;
vcs:vmmParameterId "934"^^xsd:int .
csc:FALCMQXTWHPRIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6565 ;
dbo:casNumber "78-88-6" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h1-2H2" ;
dbo:iupacName "2,3-dichloroprop-1-ene"@en ;
dbo:pubchem "6565"^^xsd:int ;
dbo:smiles "C=C(CCl)Cl" ;
dbp:inchikey "InChIKey=FALCMQXTWHPRIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_78-88-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClC3e" ;
skos:prefLabel "2,3-dichloorpropeen"@nl ;
vcs:vmmParameterId "343"^^xsd:int .
csc:MNHVNIJQQRJYDH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6451142 ;
dbo:casNumber "178928-70-6" ;
dbo:formula "C14H15Cl2N3OS" ;
dbo:inchi "InChI=1S/C14H15Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,9,20H,5-8H2,(H,17,18,21)" ;
dbo:iupacName "2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1H-1,2,4-triazole-3-thione"@en ;
dbo:pubchem "6451142"^^xsd:int ;
dbo:smiles "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C(=S)N=CN3)O)Cl" ;
dbp:inchikey "InChIKey=MNHVNIJQQRJYDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocnzl" ;
skos:prefLabel "prothioconazool"@nl .
csc:OHSVLFRHMCKCQY-NJFSPNSNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:161046 ;
dbo:casNumber "14265-75-9" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu/i1+2" ;
dbo:iupacName "lutetium-177"@en ;
dbo:pubchem "161046"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "InChIKey=OHSVLFRHMCKCQY-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu177" ;
skos:prefLabel "lutetium 177"@nl .
csc:CKRXVVGETMYFIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18134 ;
dbo:casNumber "1336-61-4" , "2991-50-6" ;
dbo:formula "C12H8F17NO4S" ;
dbo:inchi "InChI=1S/C12H8F17NO4S/c1-2-30(3-4(31)32)35(33,34)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h2-3H2,1H3,(H,31,32)" ;
dbo:iupacName "2-(ethyl-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino)acetic acid"@en ;
dbo:pubchem "18134"^^xsd:int ;
dbo:smiles "CCN(CC(=O)O)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=CKRXVVGETMYFIO-UHFFFAOYSA-N" ;
skos:altLabel "perfluoroctaansulfonylamide(N-ethyl)azijnzuur"@nl , "N-ethylperfluoroctaansulfonamido-azijnzuur"@nl , "n-ethylperfluoroctaansulfonamidoazijnzuur"@nl , "n-ethylperfluor-n-octaansulfonamido-azijnzuur (etpfosaa)"@nl ;
skos:broader csc:CHEMONTID_0003960 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "EtFOSAA" ;
skos:prefLabel "n-ethylperfluor-n-octaansulfonamido-azijnzuur"@nl .
csc:ZNQOETZUGRUONW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:41088 ;
dbo:casNumber "54446-78-5" ;
dbo:formula "C8H18O3" ;
dbo:inchi "InChI=1S/C8H18O3/c1-3-4-5-10-6-7-11-8(2)9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "1-(2-BUTOXYETHOXY)ETHANOL"@en ;
dbo:pubchem "41088"^^xsd:int ;
dbo:smiles "CCCCOCCOC(C)O" ;
dbp:inchikey "InChIKey=ZNQOETZUGRUONW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001092 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C4oxC2oxC2" ;
skos:prefLabel "1-(2-butoxyethoxy)-ethanol"@nl .
csc:JCXGWMGPZLAOME-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336623 ;
dbo:casNumber "15776-19-9" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1-3" ;
dbo:iupacName "bismuth-206"@en ;
dbo:pubchem "6336623"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi206" ;
skos:prefLabel "bismuth 206"@nl .
csc:SNICXCGAKADSCV-JTQLQIEISA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:89594 ;
dbo:casNumber "54-11-5" ;
dbo:formula "C10H14N2" ;
dbo:inchi "InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1" ;
dbo:iupacName "3-[(2S)-1-methylpyrrolidin-2-yl]pyridine"@en ;
dbo:pubchem "89594"^^xsd:int ;
dbo:smiles "CN1CCCC1C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=SNICXCGAKADSCV-JTQLQIEISA-N" ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nictne" ;
skos:prefLabel "nicotine"@nl .
csc:BMTAFVWTTFSTOG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16181 ;
dbo:casNumber "2008-41-5" ;
dbo:formula "C11H23NOS" ;
dbo:inchi "InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3" ;
dbo:iupacName "S-ethyl (bis(2-methylpropyl)amino)methanethioate"@en ;
dbo:pubchem "16181"^^xsd:int ;
dbo:smiles "CCSC(=O)N(CC(C)C)CC(C)C" ;
dbp:inchikey "InChIKey=BMTAFVWTTFSTOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yat" ;
skos:prefLabel "butylaat"@nl .
csc:NJMYODHXAKYRHW-DVZOWYKESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5281881 ;
dbo:casNumber "2709-56-0" , "53772-82-0" ;
dbo:formula "C23H25F3N2OS" ;
dbo:inchi "InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-" ;
dbo:iupacName "2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol"@en ;
dbo:pubchem "5281881"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO" ;
dbp:inchikey "InChIKey=NJMYODHXAKYRHW-DVZOWYKESA-N" ;
skos:broader csc:CHEMONTID_0000199 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluptxl" ;
skos:prefLabel "flupentixol"@nl .
csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6327 ;
dbo:casNumber "2108-20-5" , "74-87-3" ;
dbo:formula "CH3Cl" ;
dbo:inchi "InChI=1S/CH3Cl/c1-2/h1H3" ;
dbo:iupacName "Chloromethane"@en ;
dbo:pubchem "6327"^^xsd:int ;
dbo:smiles "CCl" ;
dbp:inchikey "InChIKey=NEHMKBQYUWJMIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-87-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC1a" ;
skos:prefLabel "chloormethaan"@nl ;
vcs:vmmParameterId "375"^^xsd:int .
csc:ZQDWXGKKHFNSQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3658 ;
dbo:casNumber "68-88-2" ;
dbo:formula "C21H27ClN2O2" ;
dbo:inchi "InChI=1S/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2" ;
dbo:iupacName "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethanol"@en ;
dbo:pubchem "3658"^^xsd:int ;
dbo:smiles "C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=ZQDWXGKKHFNSQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hoxzne" ;
skos:prefLabel "hydroxyzine"@nl .
csc:BOTWFXYSPFMFNR-PYDDKJGSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280435 ;
dbo:casNumber "5016-81-9" , "7541-49-3" , "150-86-7" ;
dbo:formula "C20H40O" ;
dbo:inchi "InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1" ;
dbo:iupacName "(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol"@en ;
dbo:pubchem "5280435"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C" ;
dbp:inchikey "InChIKey=BOTWFXYSPFMFNR-PYDDKJGSSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fytl" ;
skos:prefLabel "fytol"@nl .
csc:WABPQHHGFIMREM-BKFZFHPZSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335491 ;
dbo:casNumber "18879-28-2" , "15092-94-1" ;
dbo:formula "Pb" ;
dbo:inchi "InChI=1S/Pb/i1+5" ;
dbo:iupacName "lead-212"@en ;
dbo:pubchem "6335491"^^xsd:int ;
dbo:smiles "[Pb]" ;
dbp:inchikey "InChIKey=WABPQHHGFIMREM-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pb212" ;
skos:prefLabel "lood 212"@nl .
csc:BCTQJXQXJVLSIG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:41632 ;
dbo:casNumber "55814-41-0" ;
dbo:formula "C17H19NO2" ;
dbo:inchi "InChI=1S/C17H19NO2/c1-12(2)20-15-9-6-8-14(11-15)18-17(19)16-10-5-4-7-13(16)3/h4-12H,1-3H3,(H,18,19)" ;
dbo:iupacName "2-methyl-N-(3-propan-2-yloxyphenyl)benzamide"@en ;
dbo:pubchem "41632"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C" ;
dbp:inchikey "InChIKey=BCTQJXQXJVLSIG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepnl" ;
skos:prefLabel "mepronil"@nl .
csc:RHSGYAYYVYMXIF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16204498 ;
dbo:casNumber "12008-41-2" , "12280-03-4" ;
dbo:formula "B8H8Na2O28-22" ;
dbo:inchi "InChI=1S/8BO3.2Na.4H2O/c8*2-1(3)4;;;;;;/h;;;;;;;;;;4*1H2/q8*-3;2*+1;;;;" ;
dbo:iupacName "Disodium octaborate tetrahydrate"@en ;
dbo:pubchem "16204498"^^xsd:int ;
dbo:smiles "B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].O.O.O.O.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=RHSGYAYYVYMXIF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000895 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na2B8O13" ;
skos:prefLabel "dinatriumoctaboraat"@nl .
csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7771 ;
dbo:casNumber "105-67-9" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3" ;
dbo:iupacName "2,4-Dimethylphenol"@en ;
dbo:pubchem "7771"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)O)C" ;
dbp:inchikey "InChIKey=KUFFULVDNCHOFZ-UHFFFAOYSA-N" ;
skos:altLabel "2,4-xylenol "@nl , "2,4-dimethylfenol"@nl ;
skos:broader csc:CHEMONTID_0004212 ;
skos:exactMatch wise:CAS_105-67-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1yFol" ;
skos:prefLabel "2,4-xylenol"@nl ;
vcs:vmmParameterId "207"^^xsd:int .
csc:SHOJXDKTYKFBRD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8858 ;
dbo:casNumber "141-79-7" ;
dbo:formula "C6H10O" ;
dbo:inchi "InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3" ;
dbo:iupacName "4-Methylpent-3-en-2-one"@en ;
dbo:pubchem "8858"^^xsd:int ;
dbo:smiles "CC(=CC(=O)C)C" ;
dbp:inchikey "InChIKey=SHOJXDKTYKFBRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mestoxde" ;
skos:prefLabel "mesityloxide"@nl .
csc:IYJYQHRNMMNLRH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14766 ;
dbo:casNumber "162264-71-3" , "7758-17-0" , "12393-50-9" , "12598-12-8" , "180395-80-6" , "1302-42-7" , "11138-49-1" ;
dbo:formula "AlNaO2" ;
dbo:inchi "InChI=1S/Al.Na.2O/q-1;+1;;" ;
dbo:iupacName "sodium;dioxoalumanuide"@en ;
dbo:pubchem "14766"^^xsd:int ;
dbo:smiles "O=[Al-]=O.[Na+]" ;
dbp:inchikey "InChIKey=IYJYQHRNMMNLRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000530 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naalmnt" ;
skos:prefLabel "natriumaluminaat"@nl .
csc:NFQIYHPAGNZAOO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93289 ;
dbo:casNumber "53720-80-2" ;
dbo:formula "C16H13Cl5N2" ;
dbo:inchi "InChI=1S/C16H13Cl5N2/c17-11-3-1-5-13(9-11)22-7-8-23(15(22)16(19,20)21)14-6-2-4-12(18)10-14/h1-6,9-10,15H,7-8H2" ;
dbo:iupacName "1,3-Bis(3-chlorophenyl)-2-(trichloromethyl)imidazolidine"@en ;
dbo:pubchem "93289"^^xsd:int ;
dbo:smiles "C1CN(C(N1C2=CC(=CC=C2)Cl)C(Cl)(Cl)Cl)C3=CC(=CC=C3)Cl" ;
dbp:inchikey "InChIKey=NFQIYHPAGNZAOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002547 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tcfndne" ;
skos:prefLabel "trichlofenidine"@nl .
csc:AVRQBXVUUXHRMY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:87439 ;
dbo:casNumber "18063-03-1" ;
dbo:formula "C7H5F2NO" ;
dbo:inchi "InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Difluorobenzamide"@en ;
dbo:pubchem "87439"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)N)F" ;
dbp:inchikey "InChIKey=AVRQBXVUUXHRMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DFBenAd" ;
skos:prefLabel "2,6-difluorbenzamide"@nl .
csc:XMGQYMWWDOXHJM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22311 ;
dbo:casNumber "7705-14-8" , "7721-11-1" , "65996-98-7" , "6876-12-6" , "8022-90-0" , "9003-73-0" , "8050-32-6" , "7705-13-7" , "138-86-3" , "555-08-8" , "68246-90-2" , "26123-39-7" , "95327-98-3" ;
dbo:formula "C10H16" ;
dbo:inchi "InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3" ;
dbo:iupacName "1-methyl-4-prop-1-en-2-ylcyclohexene"@en ;
dbo:pubchem "22311"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1)C(=C)C" ;
dbp:inchikey "InChIKey=XMGQYMWWDOXHJM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "limnn" ;
skos:prefLabel "limoneen"@nl .
csc:GDLIGKIOYRNHDA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2801 ;
dbo:casNumber "83162-38-3" , "303-49-1" ;
dbo:formula "C19H23ClN2" ;
dbo:inchi "InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3" ;
dbo:iupacName "3-(9-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "2801"^^xsd:int ;
dbo:smiles "CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=GDLIGKIOYRNHDA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clompmne" ;
skos:prefLabel "clomipramine"@nl .
csc:QCFYJCYNJLBDRT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7944 ;
dbo:casNumber "52438-91-2" , "108-60-1" ;
dbo:formula "C6H12Cl2O" ;
dbo:inchi "InChI=1S/C6H12Cl2O/c1-5(3-7)9-6(2)4-8/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "1-chloro-2-(1-chloropropan-2-yloxy)propane"@en ;
dbo:pubchem "7944"^^xsd:int ;
dbo:smiles "CC(CCl)OC(C)CCl" ;
dbp:inchikey "InChIKey=QCFYJCYNJLBDRT-UHFFFAOYSA-N" ;
skos:altLabel "2,2'-Dichloordiisopropyl ether"@nl , "bis-(2-chloorisopropyl)-ether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClDiC3yEtr" ;
skos:prefLabel "2,2'-dichloordiisopropyl ether"@nl .
csc:FSSPGSAQUIYDCN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14264 ;
dbo:casNumber "1120-71-4" ;
dbo:formula "C3H6O3S" ;
dbo:inchi "InChI=1S/C3H6O3S/c4-7(5)3-1-2-6-7/h1-3H2" ;
dbo:iupacName "oxathiolane 2,2-dioxide"@en ;
dbo:pubchem "14264"^^xsd:int ;
dbo:smiles "C1COS(=O)(=O)C1" ;
dbp:inchikey "InChIKey=FSSPGSAQUIYDCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001888 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C3astn" ;
skos:prefLabel "propaansulton"@nl .
csc:FNCMBMZOZQAWJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17521 ;
dbo:casNumber "2635-10-1" ;
dbo:formula "C11H15NO3S" ;
dbo:inchi "InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17521"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=FNCMBMZOZQAWJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocbSO" ;
skos:prefLabel "methiocarbsulfoxide"@nl .
csc:HDZGCSFEDULWCS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6061 ;
dbo:casNumber "60-34-4" ;
dbo:formula "CH6N2" ;
dbo:inchi "InChI=1S/CH6N2/c1-3-2/h3H,2H2,1H3" ;
dbo:iupacName "METHYLHYDRAZINE"@en ;
dbo:pubchem "6061"^^xsd:int ;
dbo:smiles "CNN" ;
dbp:inchikey "InChIKey=HDZGCSFEDULWCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004511 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yhdzne" ;
skos:prefLabel "methylhydrazine"@nl .
csc:PQYJRMFWJJONBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31356 ;
dbo:casNumber "126-72-7" , "1867-14-7" , "55962-48-6" , "68112-30-1" ;
dbo:formula "C9H15Br6O4P" ;
dbo:inchi "InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2" ;
dbo:iupacName "['tris(2,3-dibromopropoxy)-hydroxyphosphanium', 'Tris(2,3-dibromopropyl) phosphate']"@en ;
dbo:pubchem "31356"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)OP(=O)(OCC(CBr)Br)OCC(CBr)Br" ;
dbp:inchikey "InChIKey=PQYJRMFWJJONBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tris23DBrC3y" ;
skos:prefLabel "tris(2,3-dibroompropyl)fosfaat"@nl .
csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:769 ;
dbo:casNumber "71-52-3" ;
dbo:formula "CHO3-" ;
dbo:inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1" ;
dbo:iupacName "hydrogen carbonate"@en ;
dbo:pubchem "769"^^xsd:int ;
dbo:smiles "C(=O)(O)[O-]" ;
dbp:inchikey "InChIKey=BVKZGUZCCUSVTD-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001521 ;
skos:exactMatch wise:CAS_71-52-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCO3" ;
skos:prefLabel "waterstofcarbonaat"@nl ;
vcs:vmmParameterId "2"^^xsd:int .
csc:BZCXQYVNASLLQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33743 ;
dbo:casNumber "27208-37-3" ;
dbo:formula "C18H10" ;
dbo:inchi "InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H" ;
dbo:iupacName "pentacyclo[12.3.1.04,17.07,16.010,15]octadeca-1(18),2,4(17),5,7(16),8,10(15),11,13-nonaene"@en ;
dbo:pubchem "33743"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=C4C=CC5=C4C3=C(C=C2)C=C5" ;
dbp:inchikey "InChIKey=BZCXQYVNASLLQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001851 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycPecdPyr" ;
skos:prefLabel "cyclopenta(cd)pyreen"@nl .
csc:XGWIJUOSCAQSSV-VPHXOMNUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73673 ;
dbo:casNumber "78587-05-0" ;
dbo:formula "C17H21ClN2O2S" ;
dbo:inchi "InChI=1S/C17H21ClN2O2S/c1-11-15(12-7-9-13(18)10-8-12)23-17(22)20(11)16(21)19-14-5-3-2-4-6-14/h7-11,14-15H,2-6H2,1H3,(H,19,21)/t11-,15?/m0/s1" ;
dbo:iupacName "(4S)-5-(4-chlorophenyl)-N-cyclohexyl-4-methyl-2-oxo-1,3-thiazolidine-3-carboxamide"@en ;
dbo:pubchem "73673"^^xsd:int ;
dbo:smiles "CC1C(SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=XGWIJUOSCAQSSV-VPHXOMNUSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "hextazx" ;
skos:prefLabel "hexythiazox"@nl .
csc:ZXVONLUNISGICL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10800 ;
dbo:casNumber "534-52-1" , "53240-95-2" , "37359-43-6" , "8071-51-0" , "8068-73-3" ;
dbo:formula "C7H6N2O5" ;
dbo:inchi "InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3" ;
dbo:iupacName "2-Methyl-4,6-dinitrophenol"@en ;
dbo:pubchem "10800"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ZXVONLUNISGICL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:exactMatch wise:CAS_534-52-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DNOC" ;
skos:prefLabel "4,6-dinitro-o-cresol"@nl ;
vcs:vmmParameterId "210"^^xsd:int .
csc:CMOYPQWMTBSLJK-KAMYIIQDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282107 ;
dbo:casNumber "140-03-4" ;
dbo:formula "C21H38O4" ;
dbo:inchi "InChI=1S/C21H38O4/c1-4-5-6-13-16-20(25-19(2)22)17-14-11-9-7-8-10-12-15-18-21(23)24-3/h11,14,20H,4-10,12-13,15-18H2,1-3H3/b14-11-" ;
dbo:iupacName "methyl (Z)-12-acetyloxyoctadec-9-enoate"@en ;
dbo:pubchem "5282107"^^xsd:int ;
dbo:smiles "CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C" ;
dbp:inchikey "InChIKey=CMOYPQWMTBSLJK-KAMYIIQDSA-N" ;
skos:altLabel "methyl O-acetylricinoleaat"@nl ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yOactrcnla" ;
skos:prefLabel "methyl o-acetylricinoleaat"@nl .
csc:GZCRRIHWUXGPOV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23958 ;
dbo:casNumber "7440-27-9" , "110424-82-3" ;
dbo:formula "Tb" ;
dbo:inchi "InChI=1S/Tb" ;
dbo:iupacName "TERBIUM"@en ;
dbo:pubchem "23958"^^xsd:int ;
dbo:smiles "[Tb]" ;
dbp:inchikey "InChIKey=GZCRRIHWUXGPOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tb" ;
skos:prefLabel "terbium"@nl .
csc:VOZKAJLKRJDJLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7261 ;
dbo:casNumber "12236-56-5" , "95-80-7" , "85898-88-0" , "71111-07-4" ;
dbo:formula "C7H10N2" ;
dbo:inchi "InChI=1S/C7H10N2/c1-5-2-3-6(8)4-7(5)9/h2-4H,8-9H2,1H3" ;
dbo:iupacName "4-methylbenzene-1,3-diamine"@en ;
dbo:pubchem "7261"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)N" ;
dbp:inchikey "InChIKey=VOZKAJLKRJDJLL-UHFFFAOYSA-N" ;
skos:altLabel "2,4-diaminotolueen"@nl ;
skos:broader csc:CHEMONTID_0003965 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAoTol" ;
skos:prefLabel "2,4-diaminotoluene"@nl .
csc:UWTUEMKLYAGTNQ-UPHRSURJSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:643776 ;
dbo:casNumber "590-11-4" , "540-49-8" ;
dbo:formula "C2H2Br2" ;
dbo:inchi "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1-" ;
dbo:iupacName "(Z)-1,2-dibromoethene"@en ;
dbo:pubchem "643776"^^xsd:int ;
dbo:smiles "C(=CBr)Br" ;
dbp:inchikey "InChIKey=UWTUEMKLYAGTNQ-UPHRSURJSA-N" ;
skos:altLabel "som 1,2-dibroometheen (som cis- en trans-)"@nl ;
skos:broader csc:CHEMONTID_0002864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "t12DBrC2e" , "s12DBrC2e" ;
skos:prefLabel "trans-1,2-dibroometheen"@nl .
csc:DQWPFSLDHJDLRL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6535 ;
dbo:casNumber "78-40-0" ;
dbo:formula "C6H15O4P" ;
dbo:inchi "InChI=1S/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3" ;
dbo:iupacName "['triethoxy-hydroxyphosphanium', 'Triethyl phosphate']"@en ;
dbo:pubchem "6535"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OCC" ;
dbp:inchikey "InChIKey=DQWPFSLDHJDLRL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yPO4" ;
skos:prefLabel "triethylfosfaat"@nl .
csc:HQJQYILBCQPYBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7110 ;
dbo:casNumber "92-86-4" ;
dbo:formula "C12H8Br2" ;
dbo:inchi "InChI=1S/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H" ;
dbo:iupacName "1-bromo-4-(4-bromophenyl)benzene"@en ;
dbo:pubchem "7110"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)Br)Br" ;
dbp:inchikey "InChIKey=HQJQYILBCQPYBI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBB15" ;
skos:prefLabel "4,4'-dibroombifenyl"@nl .
csc:GHGCUYKTGPFCTK-LZOIJMLOSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436297 ;
dbo:casNumber "77108-06-6" , "66346-04-1" , "76738-62-0" ;
dbo:formula "C30H40Cl2N6O2" ;
dbo:inchi "InChI=1S/2C15H20ClN3O/c2*1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h2*4-7,9-10,13-14,20H,8H2,1-3H3/t2*13?,14-/m10/s1" ;
dbo:iupacName "(3R)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol; (3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol"@en ;
dbo:pubchem "6436297"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O.CC(C)(C)C(C(CC1=CC=C(C=C1)Cl)N2C=NC=N2)O" ;
dbp:inchikey "InChIKey=GHGCUYKTGPFCTK-LZOIJMLOSA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pacbtzl" ;
skos:prefLabel "paclobutrazol"@nl .
csc:QLHULAHOXSSASE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:125098 ;
dbo:casNumber "119515-38-7" , "658051-75-3" ;
dbo:formula "C12H23NO3" ;
dbo:inchi "InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3" ;
dbo:iupacName "butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate"@en ;
dbo:pubchem "125098"^^xsd:int ;
dbo:smiles "CCC(C)OC(=O)N1CCCCC1CCO" ;
dbp:inchikey "InChIKey=QLHULAHOXSSASE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002411 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icrdn" ;
skos:prefLabel "icaridin"@nl .
csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7845 ;
dbo:casNumber "106-99-0" , "68514-37-4" , "68441-48-5" , "130983-70-9" , "25339-57-5" ;
dbo:formula "C4H6" ;
dbo:inchi "InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2" ;
dbo:iupacName "Buta-1,3-diene"@en ;
dbo:pubchem "7845"^^xsd:int ;
dbo:smiles "C=CC=C" ;
dbp:inchikey "InChIKey=KAKZBPTYRLMSJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13butDen" ;
skos:prefLabel "1,3-butadieen"@nl .
csc:AHTPATJNIAFOLR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:73674 ;
dbo:casNumber "79277-27-3" ;
dbo:formula "C12H13N5O6S2" ;
dbo:inchi "InChI=1S/C12H13N5O6S2/c1-6-13-10(16-12(14-6)23-3)15-11(19)17-25(20,21)7-4-5-24-8(7)9(18)22-2/h4-5H,1-3H3,(H2,13,14,15,16,17,19)" ;
dbo:iupacName "methyl 3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylate"@en ;
dbo:pubchem "73674"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)OC" ;
dbp:inchikey "InChIKey=AHTPATJNIAFOLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thifsfrnC1y" ;
skos:prefLabel "thifensulfuron-methyl"@nl .
csc:OKUGPJPKMAEJOE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16003 ;
dbo:casNumber "1929-77-7" ;
dbo:formula "C10H21NOS" ;
dbo:inchi "InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "S-propyl (dipropylamino)methanethioate"@en ;
dbo:pubchem "16003"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCCC" ;
dbp:inchikey "InChIKey=OKUGPJPKMAEJOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vernlt" ;
skos:prefLabel "vernolaat"@nl .
csc:IXORZMNAPKEEDV-QTWFBFKQSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:439551 ;
dbo:casNumber "77-06-5" ;
dbo:formula "C19H22O6" ;
dbo:inchi "InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16?,17+,18+,19-/m1/s1" ;
dbo:iupacName "(1R,2R,5S,8S,9S,10R,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid"@en ;
dbo:pubchem "439551"^^xsd:int ;
dbo:smiles "CC12C(C=CC3(C1C(C45C3CCC(C4)(C(=C)C5)O)C(=O)O)OC2=O)O" ;
dbp:inchikey "InChIKey=IXORZMNAPKEEDV-QTWFBFKQSA-N" ;
skos:broader csc:CHEMONTID_0004013 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gebbrlnzr" ;
skos:prefLabel "gibberellinezuur"@nl .
csc:VXLYOURCUVQYLN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:581393 ;
dbo:casNumber "18368-64-4" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3" ;
dbo:iupacName "2-Chloro-5-methylpyridine"@en ;
dbo:pubchem "581393"^^xsd:int ;
dbo:smiles "CC1=CN=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=VXLYOURCUVQYLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl5C1yprdne" ;
skos:prefLabel "2-chloor-5-methyl-pyridine"@nl .
csc:URAYPUMNDPQOKB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5541 ;
dbo:casNumber "102-76-1" ;
dbo:formula "C9H14O6" ;
dbo:inchi "InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3" ;
dbo:iupacName "1,3-diacetyloxypropan-2-yl acetate"@en ;
dbo:pubchem "5541"^^xsd:int ;
dbo:smiles "CC(=O)OCC(COC(=O)C)OC(=O)C" ;
dbp:inchikey "InChIKey=URAYPUMNDPQOKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glycrTactt" ;
skos:prefLabel "glyceroltriacetaat"@nl .
csc:SPNQRCTZKIBOAX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36565 ;
dbo:casNumber "33629-47-9" , "12676-07-2" ;
dbo:formula "C14H21N3O4" ;
dbo:inchi "InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3" ;
dbo:iupacName "N-butan-2-yl-4-tert-butyl-2,6-dinitroaniline"@en ;
dbo:pubchem "36565"^^xsd:int ;
dbo:smiles "CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SPNQRCTZKIBOAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butln" ;
skos:prefLabel "butralin"@nl .
csc:SIGQAYSWORHPPH-GFXLLRAPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6440826 ;
dbo:casNumber "123304-10-9" ;
dbo:formula "C52H71N7O13" ;
dbo:inchi "InChI=1S/C52H71N7O13/c1-28(2)24-40-50(67)58-44(52(70)71)32(6)46(63)56-41(26-36-17-19-37(60)20-18-36)49(66)54-38(21-16-29(3)25-30(4)42(72-10)27-35-14-12-11-13-15-35)31(5)45(62)55-39(51(68)69)22-23-43(61)59(9)34(8)48(65)53-33(7)47(64)57-40/h11-21,25,28,30-33,38-42,44,60H,8,22-24,26-27H2,1-7,9-10H3,(H,53,65)(H,54,66)(H,55,62)(H,56,63)(H,57,64)(H,58,67)(H,68,69)(H,70,71)/b21-16-,29-25+" ;
dbo:iupacName "15-[(4-hydroxyphenyl)methyl]-18-[(1Z,3E)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6440826"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC2=CC=C(C=C2)O)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C" ;
dbp:inchikey "InChIKey=SIGQAYSWORHPPH-GFXLLRAPSA-N" ;
skos:altLabel "microcystine-ly"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC-LY" ;
skos:prefLabel "microcystine-LY"@nl .
csc:LVGUHATVVHIJET-CMDGGOBGSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5354490 ;
dbo:casNumber "3152-68-9" , "18402-88-5" ;
dbo:formula "C11H12O" ;
dbo:inchi "InChI=1S/C11H12O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+" ;
dbo:iupacName "['(E)-1-phenylpent-1-en-3-one', '1-Phenylpent-1-en-3-one']"@en ;
dbo:pubchem "5354490"^^xsd:int ;
dbo:smiles "CCC(=O)C=CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=LVGUHATVVHIJET-CMDGGOBGSA-N" ;
skos:broader csc:CHEMONTID_0000037 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Fy1C5e3on" ;
skos:prefLabel "1-fenyl-1-penteen-3-on"@nl .
csc:GYCMBHHDWRMZGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31368 ;
dbo:casNumber "126-98-7" , "25067-61-2" ;
dbo:formula "C4H5N" ;
dbo:inchi "InChI=1S/C4H5N/c1-4(2)3-5/h1H2,2H3" ;
dbo:iupacName "2-methylprop-2-enenitrile"@en ;
dbo:pubchem "31368"^^xsd:int ;
dbo:smiles "CC(=C)C#N" ;
dbp:inchikey "InChIKey=GYCMBHHDWRMZGG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yaclntl" ;
skos:prefLabel "methyl-acrylonitril"@nl .
csc:NMFAMPYSJHIYMR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:29696 ;
dbo:casNumber "19622-08-3" , "19622-19-6" ;
dbo:formula "C8H19ClN2OS" ;
dbo:inchi "InChI=1S/C8H18N2OS.ClH/c1-4-12-8(11)9-6-5-7-10(2)3;/h4-7H2,1-3H3,(H,9,11);1H" ;
dbo:iupacName "3-(ethylsulfanylcarbonylamino)propyl-dimethylazanium chloride"@en ;
dbo:pubchem "29696"^^xsd:int ;
dbo:smiles "CCSC(=O)NCCC[NH+](C)C.[Cl-]" ;
dbp:inchikey "InChIKey=NMFAMPYSJHIYMR-UHFFFAOYSA-N" ;
skos:altLabel "prothiocarb hydrochloride"@nl ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "protocHCl" , "protocb" ;
skos:prefLabel "prothiocarb"@nl .
csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12281 ;
dbo:casNumber "626-43-7" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2" ;
dbo:iupacName "3,5-DICHLOROANILINE"@en ;
dbo:pubchem "12281"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)N" ;
dbp:inchikey "InChIKey=UQRLKWGPEVNVHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_626-43-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DClAn" ;
skos:prefLabel "3,5-dichlooraniline"@nl ;
vcs:vmmParameterId "49"^^xsd:int .
csc:RJUFJBKOKNCXHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11124 ;
dbo:casNumber "554-12-1" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3-4(5)6-2/h3H2,1-2H3" ;
dbo:iupacName "Methyl propanoate"@en ;
dbo:pubchem "11124"^^xsd:int ;
dbo:smiles "CCC(=O)OC" ;
dbp:inchikey "InChIKey=RJUFJBKOKNCXHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003416 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC3yat" ;
skos:prefLabel "methylpropylaat"@nl .
csc:ZOTBXTZVPHCKPN-HTXNQAPBSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6112114 ;
dbo:casNumber "143390-89-0" ;
dbo:formula "C18H19NO4" ;
dbo:inchi "InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+" ;
dbo:iupacName "methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate"@en ;
dbo:pubchem "6112114"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1OCC2=CC=CC=C2C(=NOC)C(=O)OC" ;
dbp:inchikey "InChIKey=ZOTBXTZVPHCKPN-HTXNQAPBSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "kresOxmC1y" ;
skos:prefLabel "kresoxim-methyl"@nl .
csc:SMKRKQBMYOFFMU-DRXWIORDSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31621 ;
dbo:casNumber "23031-36-9" ;
dbo:formula "C19H24O3" ;
dbo:inchi "InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1" ;
dbo:iupacName "(2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl) (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "31621"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C" ;
dbp:inchikey "InChIKey=SMKRKQBMYOFFMU-DRXWIORDSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pralltn" ;
skos:prefLabel "prallethrin"@nl .
csc:QUIMTLZDMCNYGY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11899 ;
dbo:casNumber "611-06-3" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H" ;
dbo:iupacName "2,4-Dichloro-1-nitrobenzene"@en ;
dbo:pubchem "11899"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QUIMTLZDMCNYGY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_611-06-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClNO2Ben" ;
skos:prefLabel "2,4-dichloornitrobenzeen"@nl ;
vcs:vmmParameterId "773"^^xsd:int .
csc:PDQAZBWRQCGBEV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7300 ;
dbo:casNumber "96-45-7" , "26856-29-1" , "90613-75-5" , "71836-04-9" , "12261-94-8" , "96-46-8" ;
dbo:formula "C3H6N2S" ;
dbo:inchi "InChI=1S/C3H6N2S/c6-3-4-1-2-5-3/h1-2H2,(H2,4,5,6)" ;
dbo:iupacName "imidazolidine-2-thione"@en ;
dbo:pubchem "7300"^^xsd:int ;
dbo:smiles "C1CN=C(N1)S" ;
dbp:inchikey "InChIKey=PDQAZBWRQCGBEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000250 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yetourum" ;
skos:prefLabel "ethyleenthioureum"@nl .
csc:LLMLGZUZTFMXSA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8620 ;
dbo:casNumber "133-49-3" ;
dbo:formula "C6HCl5S" ;
dbo:inchi "InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" ;
dbo:iupacName "2,3,4,5,6-pentachlorobenzenethiol"@en ;
dbo:pubchem "8620"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)S" ;
dbp:inchikey "InChIKey=LLMLGZUZTFMXSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001850 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClBentol" ;
skos:prefLabel "pentachloorbenzeenthiol"@nl .
csc:LBWPYRZGHYVSEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:19775 ;
dbo:casNumber "3892-00-0" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-6-7-8-12-17(4)14-10-15-18(5)13-9-11-16(2)3/h16-18H,6-15H2,1-5H3" ;
dbo:iupacName "2,6,10-TRIMETHYLPENTADECANE"@en ;
dbo:pubchem "19775"^^xsd:int ;
dbo:smiles "CCCCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=LBWPYRZGHYVSEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2610TC1yC15" ;
skos:prefLabel "2,6,10-trimethylpentadecaan"@nl .
csc:BEZZFPOZAYTVHN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40854 ;
dbo:casNumber "53716-50-0" ;
dbo:formula "C15H13N3O3S" ;
dbo:inchi "InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)" ;
dbo:iupacName "methyl N-(6-phenylsulfinyl-1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "40854"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=BEZZFPOZAYTVHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oxfdzle" ;
skos:prefLabel "oxfendazole"@nl .
csc:QXAITBQSYVNQDR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36324 ;
dbo:casNumber "33089-61-1" ;
dbo:formula "C19H23N3" ;
dbo:inchi "InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3" ;
dbo:iupacName "N'-(2,4-dimethylphenyl)-N-[(2,4-dimethylphenyl)iminomethyl]-N-methylmethanimidamide"@en ;
dbo:pubchem "36324"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N=CN(C)C=NC2=C(C=C(C=C2)C)C)C" ;
dbp:inchikey "InChIKey=QXAITBQSYVNQDR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amtz" ;
skos:prefLabel "amitraz"@nl .
csc:UNEATYXSUBPPKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7450 ;
dbo:casNumber "99-62-7" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "1,3-di(propan-2-yl)benzene"@en ;
dbo:pubchem "7450"^^xsd:int ;
dbo:smiles "CC(C)C1=CC(=CC=C1)C(C)C" ;
dbp:inchikey "InChIKey=UNEATYXSUBPPKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DiC3yeBen" ;
skos:prefLabel "1,3-di-isopropylbenzeen"@nl .
csc:BKVIYDNLLOSFOA-RNFDNDRNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335611 ;
dbo:casNumber "14913-50-9" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1+4" ;
dbo:iupacName "thallium-208"@en ;
dbo:pubchem "6335611"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "InChIKey=BKVIYDNLLOSFOA-RNFDNDRNSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl208" ;
skos:prefLabel "thallium 208"@nl .
csc:IEEJAAUSLQCGJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37182 ;
dbo:casNumber "35572-78-2" ;
dbo:formula "C7H7N3O4" ;
dbo:inchi "InChI=1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3" ;
dbo:iupacName "2-methyl-3,5-dinitroaniline"@en ;
dbo:pubchem "37182"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=IEEJAAUSLQCGJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003969 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao46DNO2Tol" ;
skos:prefLabel "2-amino-4,6-dinitrotolueen"@nl .
csc:DXYYSGDWQCSKKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8446 ;
dbo:casNumber "120-75-2" ;
dbo:formula "C8H7NS" ;
dbo:inchi "InChI=1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3" ;
dbo:iupacName "2-methyl-1,3-benzothiazole"@en ;
dbo:pubchem "8446"^^xsd:int ;
dbo:smiles "CC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "InChIKey=DXYYSGDWQCSKKO-UHFFFAOYSA-N" ;
skos:altLabel "2-methylbenzothiazool"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ybztazl" ;
skos:prefLabel "methylbenzothiazole"@nl .
csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:40479 ;
dbo:casNumber "52663-72-6" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40479"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=AZXHAWRMEPZSSV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB 167"@nl , "2,3',4,4',5,5'-hexachloorbifenyl"@nl , "2,3',4,4',5,5'-hexachloorbifenyl (pcb167)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_52663-72-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB167" ;
skos:prefLabel "pcb 167"@nl ;
vcs:vmmParameterId "1374"^^xsd:int .
csc:AWZVYNHQGTZJIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20678 ;
dbo:casNumber "4549-40-0" ;
dbo:formula "C3H6N2O" ;
dbo:inchi "InChI=1S/C3H6N2O/c1-3-5(2)4-6/h3H,1H2,2H3" ;
dbo:iupacName "N-ethenyl-N-methylnitrous amide"@en ;
dbo:pubchem "20678"^^xsd:int ;
dbo:smiles "CN(C=C)N=O" ;
dbp:inchikey "InChIKey=AWZVYNHQGTZJIH-UHFFFAOYSA-N" ;
skos:altLabel "methyl-N-nitroso-vinylamine"@nl ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yNNO2svnAe" ;
skos:prefLabel "methyl-n-nitroso-vinylamine"@nl .
csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62020 ;
dbo:casNumber "52888-80-9" ;
dbo:formula "C14H21NOS" ;
dbo:inchi "InChI=1S/C14H21NOS/c1-3-10-15(11-4-2)14(16)17-12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3" ;
dbo:iupacName "S-(phenylmethyl) (dipropylamino)methanethioate"@en ;
dbo:pubchem "62020"^^xsd:int ;
dbo:smiles "CCCN(CCC)C(=O)SCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NQLVQOSNDJXLKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_52888-80-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prosfcb" ;
skos:prefLabel "prosulfocarb"@nl ;
vcs:vmmParameterId "803"^^xsd:int .
csc:YUVKUEAFAVKILW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91701 ;
dbo:casNumber "121958-44-9" , "69335-91-7" , "93171-48-3" , "86023-37-2" , "87168-00-1" ;
dbo:formula "C15H12F3NO4" ;
dbo:inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)" ;
dbo:iupacName "2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "91701"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=YUVKUEAFAVKILW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfp" ;
skos:prefLabel "fluazifop"@nl .
csc:AWZOLILCOUMRDG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28292 ;
dbo:casNumber "17109-49-8" ;
dbo:formula "C14H15O2PS2" ;
dbo:inchi "InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3" ;
dbo:iupacName "(ethoxy-phenylsulfanylphosphoryl)sulfanylbenzene"@en ;
dbo:pubchem "28292"^^xsd:int ;
dbo:smiles "CCOP(=O)(SC1=CC=CC=C1)SC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=AWZOLILCOUMRDG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "edffs" ;
skos:prefLabel "edifenfos"@nl .
csc:PRLVTUNWOQKEAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50367 ;
dbo:casNumber "69327-76-0" ;
dbo:formula "C16H23N3OS" ;
dbo:inchi "InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3" ;
dbo:iupacName "2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one"@en ;
dbo:pubchem "50367"^^xsd:int ;
dbo:smiles "CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=PRLVTUNWOQKEAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003094 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bupfzn" ;
skos:prefLabel "buprofezin"@nl .
csc:JKQOBWVOAYFWKG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14802 ;
dbo:casNumber "77835-70-2" , "12412-22-5" , "1313-27-5" , "114663-84-2" , "12412-21-4" , "37376-47-9" , "114316-51-7" , "199790-61-9" ;
dbo:formula "MoO3" ;
dbo:inchi "InChI=1S/Mo.3O" ;
dbo:iupacName "trioxomolybdenum"@en ;
dbo:pubchem "14802"^^xsd:int ;
dbo:smiles "O=[Mo](=O)=O" ;
dbp:inchikey "InChIKey=JKQOBWVOAYFWKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MoTO" ;
skos:prefLabel "molybdeentrioxide"@nl .
csc:PMZNABNRKYMIKT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62235 ;
dbo:casNumber "64969-34-2" ;
dbo:formula "C12H14Cl2N2O8S2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2.2H2O4S/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;2*1-5(2,3)4/h1-6H,15-16H2;2*(H2,1,2,3,4)" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline; sulfuric acid"@en ;
dbo:pubchem "62235"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.OS(=O)(=O)O.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=PMZNABNRKYMIKT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdnSO4" ;
skos:prefLabel "3,3'-dichloorbenzidine sulfaat"@nl .
csc:BHHGXPLMPWCGHP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1001 ;
dbo:casNumber "64-04-0" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2" ;
dbo:iupacName "2-phenylethanamine"@en ;
dbo:pubchem "1001"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCN" ;
dbp:inchikey "InChIKey=BHHGXPLMPWCGHP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000186 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyC2yAe" ;
skos:prefLabel "b-fenylethylamine"@nl .
csc:RELMFMZEBKVZJC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6895 ;
dbo:casNumber "87-61-6" , "12002-48-1" ;
dbo:formula "C6H3Cl3" ;
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H" ;
dbo:iupacName "1,2,3-Trichlorobenzene"@en ;
dbo:pubchem "6895"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RELMFMZEBKVZJC-UHFFFAOYSA-N" ;
skos:altLabel "1,2,3-trichloorbenzeen"@nl , "trichloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_12002-48-1 , wise:CAS_87-61-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClBen" , "TClBen" ;
skos:prefLabel "trichloorbenzenen"@nl ;
vcs:vmmParameterId "522"^^xsd:int , "314"^^xsd:int .
csc:USIUVYZYUHIAEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7583 ;
dbo:casNumber "32576-61-7" , "101-84-8" ;
dbo:formula "C12H10O" ;
dbo:inchi "InChI=1S/C12H10O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "Phenoxybenzene"@en ;
dbo:pubchem "7583"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=USIUVYZYUHIAEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FyEtr" ;
skos:prefLabel "fenylether"@nl .
csc:LMYRWZFENFIFIT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6269 ;
dbo:casNumber "70-55-3" ;
dbo:formula "C7H9NO2S" ;
dbo:inchi "InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)" ;
dbo:iupacName "4-Methylbenzenesulfonamide"@en ;
dbo:pubchem "6269"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)N" ;
dbp:inchikey "InChIKey=LMYRWZFENFIFIT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pTolsfAd" ;
skos:prefLabel "p-tolueensulfonamide"@nl .
csc:WLWITBHAANNFHV-YNYQYFAYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6441244 ;
dbo:casNumber "134842-07-2" ;
dbo:formula "C48H72N10O12" ;
dbo:inchi "InChI=1S/C48H72N10O12/c1-25(2)22-36-45(65)58-39(47(68)69)29(6)41(61)55-34(16-13-21-51-48(49)50)44(64)54-33(18-17-26(3)23-27(4)37(70-9)24-32-14-11-10-12-15-32)28(5)40(60)56-35(46(66)67)19-20-38(59)52-30(7)42(62)53-31(8)43(63)57-36/h10-12,14-15,17-18,23,25,27-29,31,33-37,39H,7,13,16,19-22,24H2,1-6,8-9H3,(H,52,59)(H,53,62)(H,54,64)(H,55,61)(H,56,60)(H,57,63)(H,58,65)(H,66,67)(H,68,69)(H4,49,50,51)/b18-17+,26-23+/t27-,28-,29-,31+,33-,34-,35+,36+,37-,39+/m0/s1" ;
dbo:iupacName "(5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en ;
dbo:pubchem "6441244"^^xsd:int ;
dbo:smiles "CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)CCC(NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C" ;
dbp:inchikey "InChIKey=WLWITBHAANNFHV-YNYQYFAYSA-N" ;
skos:altLabel "7-desmethylmicrocystine-LR"@nl ;
skos:broader csc:CHEMONTID_0002010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dmMC-LR" ;
skos:prefLabel "7-desmethylmicrocystine-lr"@nl .
csc:QBWCMBCROVPCKQ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:197148 ;
dbo:casNumber "56310-06-6" , "74296-11-0" , "72061-90-6" , "1318-59-8" , "77546-18-0" , "77546-17-9" , "24518-47-6" , "69049-77-0" , "70134-37-1" , "155808-17-6" , "14998-27-7" , "93085-22-4" , "10049-04-4" , "1333-81-9" ;
dbo:formula "ClO2-" ;
dbo:inchi "InChI=1S/ClHO2/c2-1-3/h(H,2,3)/p-1" ;
dbo:iupacName "Chlorite"@en ;
dbo:pubchem "197148"^^xsd:int ;
dbo:smiles "[O-]Cl=O" ;
dbp:inchikey "InChIKey=QBWCMBCROVPCKQ-UHFFFAOYSA-M" ;
skos:altLabel "chloriet"@nl ;
skos:broader csc:CHEMONTID_0001050 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClO2" , "ClDO" ;
skos:prefLabel "chloordioxide"@nl .
csc:XXIDKSWYSYEFAG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:80518 ;
dbo:casNumber "6294-34-4" , "21343-86-2" ;
dbo:formula "C6H12Cl3O3P" ;
dbo:inchi "InChI=1S/C6H12Cl3O3P/c7-1-4-11-13(10,6-3-9)12-5-2-8/h1-6H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxy-(2-chloroethyl)phosphoryl)oxyethane"@en ;
dbo:pubchem "80518"^^xsd:int ;
dbo:smiles "C(CCl)OP(=O)(CCCl)OCCCl" ;
dbp:inchikey "InChIKey=XXIDKSWYSYEFAG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "b2ClC2y2ClC2" ;
skos:prefLabel "bis(2-chloorethyl)2-chloorethylfosfonaat"@nl .
csc:KUPLEGDPSCCPJI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20149 ;
dbo:casNumber "4181-95-7" ;
dbo:formula "C40H82" ;
dbo:inchi "InChI=1S/C40H82/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3" ;
dbo:iupacName "TETRACONTANE"@en ;
dbo:pubchem "20149"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=KUPLEGDPSCCPJI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C40a" ;
skos:prefLabel "tetracontaan"@nl .
csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3386 ;
dbo:casNumber "57226-07-0" , "54910-89-3" , "52341-67-0" ;
dbo:formula "C17H18F3NO" ;
dbo:inchi "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3" ;
dbo:iupacName "N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine"@en ;
dbo:pubchem "3386"^^xsd:int ;
dbo:smiles "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=RTHCYVBBDHJXIQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:exactMatch wise:CAS_54910-89-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluoxtne" ;
skos:prefLabel "fluoxetine"@nl ;
vcs:vmmParameterId "1399"^^xsd:int .
csc:FRCHKSNAZZFGCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15586 ;
dbo:casNumber "1717-00-6" ;
dbo:formula "C2H3Cl2F" ;
dbo:inchi "InChI=1S/C2H3Cl2F/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1,1-DICHLORO-1-FLUOROETHANE"@en ;
dbo:pubchem "15586"^^xsd:int ;
dbo:smiles "CC(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=FRCHKSNAZZFGCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK141b" ;
skos:prefLabel "1,1-dichloor-1-fluorethaan"@nl .
csc:HCWPIIXVSYCSAN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328144 ;
dbo:casNumber "13982-63-3" , "7440-14-4" ;
dbo:formula "Ra" ;
dbo:inchi "InChI=1S/Ra" ;
dbo:iupacName "RADIUM"@en ;
dbo:pubchem "6328144"^^xsd:int ;
dbo:smiles "[Ra]" ;
dbp:inchikey "InChIKey=HCWPIIXVSYCSAN-UHFFFAOYSA-N" ;
skos:altLabel "radium"@nl ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ra" , "Ra226" ;
skos:prefLabel "radium 226"@nl .
csc:YIIMEMSDCNDGTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6598 ;
dbo:casNumber "79-44-7" , "342009-25-0" ;
dbo:formula "C3H6ClNO" ;
dbo:inchi "InChI=1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3" ;
dbo:iupacName "N,N-Dimethylcarbamoyl chloride"@en ;
dbo:pubchem "6598"^^xsd:int ;
dbo:smiles "CN(C)C(=O)Cl" ;
dbp:inchikey "InChIKey=YIIMEMSDCNDGTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001192 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1ycbmyCl" ;
skos:prefLabel "dimethylcarbamoyl chloride"@nl .
csc:YSEMCVGMNUUNRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9708 ;
dbo:casNumber "367-21-5" ;
dbo:formula "C6H5ClFN" ;
dbo:inchi "InChI=1S/C6H5ClFN/c7-5-3-4(9)1-2-6(5)8/h1-3H,9H2" ;
dbo:iupacName "3-CHLORO-4-FLUOROANILINE"@en ;
dbo:pubchem "9708"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)F" ;
dbp:inchikey "InChIKey=YSEMCVGMNUUNRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClFAn" ;
skos:prefLabel "chloorfluoraniline"@nl .
csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:1486 ;
dbo:casNumber "15183-39-8" , "94-75-7" ;
dbo:formula "C8H6Cl2O3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)" ;
dbo:iupacName "2-(2,4-dichlorophenoxy)acetic acid"@en ;
dbo:pubchem "1486"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OCC(=O)O" ;
dbp:inchikey "InChIKey=OVSKIKFHRZPJSS-UHFFFAOYSA-N" ;
skos:altLabel "2,4-dichloorfenoxyazijnzuur"@nl , "(2,4-dichloorfenoxy)-azijnzuur (2,4-d)"@nl ;
skos:broader csc:CHEMONTID_0004525 ;
skos:exactMatch wise:CAS_94-75-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24D" ;
skos:prefLabel "(2,4-dichloorfenoxy)azijnzuur (2,4-d)"@nl ;
vcs:vmmParameterId "230"^^xsd:int .
csc:YNEVBPNZHBAYOA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9414 ;
dbo:casNumber "315-18-4" ;
dbo:formula "C12H18N2O2" ;
dbo:inchi "InChI=1S/C12H18N2O2/c1-8-6-10(16-12(15)13-3)7-9(2)11(8)14(4)5/h6-7H,1-5H3,(H,13,15)" ;
dbo:iupacName "(4-dimethylamino-3,5-dimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "9414"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1N(C)C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=YNEVBPNZHBAYOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mexcbt" ;
skos:prefLabel "mexacarbaat"@nl .
csc:ALVYVCQIFHTIRD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3016044 ;
dbo:casNumber "39108-34-4" ;
dbo:formula "C10H5F17O3S" ;
dbo:inchi "InChI=1S/C10H5F17O3S/c11-3(12,1-2-31(28,29)30)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2,(H,28,29,30)" ;
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane-1-sulfonic acid"@en ;
dbo:pubchem "3016044"^^xsd:int ;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=ALVYVCQIFHTIRD-UHFFFAOYSA-N" ;
skos:altLabel "8:2 fluortelomeersulfonzuur (8:2 fts)"@nl , "8:2 fluortelomeersulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0001179 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H-PFC10asfzr" ;
skos:prefLabel "2-(perfluoroctyl)ethaan-1-sulfonzuur (8:2 FTS)"@nl .
csc:QDNMBJXNLJFNHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5507 ;
dbo:casNumber "13710-19-5" ;
dbo:formula "C14H12ClNO2" ;
dbo:inchi "InChI=1S/C14H12ClNO2/c1-9-8-10(6-7-12(9)15)16-13-5-3-2-4-11(13)14(17)18/h2-8,16H,1H3,(H,17,18)" ;
dbo:iupacName "2-[(4-chloro-3-methylphenyl)amino]benzoic acid"@en ;
dbo:pubchem "5507"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)NC2=CC=CC=C2C(=O)O)Cl" ;
dbp:inchikey "InChIKey=QDNMBJXNLJFNHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002948 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tolfAezr" ;
skos:prefLabel "tolfenaminezuur"@nl .
csc:HNJBEVLQSNELDL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12025 ;
dbo:casNumber "22580-55-8" , "616-45-5" ;
dbo:formula "C4H7NO" ;
dbo:inchi "InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)" ;
dbo:iupacName "pyrrolidin-2-one"@en ;
dbo:pubchem "12025"^^xsd:int ;
dbo:smiles "C1CC(=O)NC1" ;
dbp:inchikey "InChIKey=HNJBEVLQSNELDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2prldn" ;
skos:prefLabel "2-pyrrolidon"@nl .
csc:OBNCKNCVKJNDBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7762 ;
dbo:casNumber "105-54-4" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3" ;
dbo:iupacName "Ethyl butanoate"@en ;
dbo:pubchem "7762"^^xsd:int ;
dbo:smiles "CCCC(=O)OCC" ;
dbp:inchikey "InChIKey=OBNCKNCVKJNDBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ybtrt" ;
skos:prefLabel "ethylbutyraat"@nl .
csc:ZFSLODLOARCGLH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7956 ;
dbo:casNumber "27941-25-9" , "40580-20-9" , "27026-93-3" , "108-80-5" , "504-19-8" , "134016-52-7" ;
dbo:formula "C3H3N3O3" ;
dbo:inchi "InChI=1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)" ;
dbo:iupacName "1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "7956"^^xsd:int ;
dbo:smiles "C1(=O)NC(=O)NC(=O)N1" ;
dbp:inchikey "InChIKey=ZFSLODLOARCGLH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004105 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CNuzr" ;
skos:prefLabel "cyanuurzuur"@nl .
csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7964 ;
dbo:casNumber "68411-45-0" , "108-90-7" , "50717-45-8" ;
dbo:formula "C6H5Cl" ;
dbo:inchi "InChI=1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Chlorobenzene"@en ;
dbo:pubchem "7964"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=MVPPADPHJFYWMZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_108-90-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClBen" ;
skos:prefLabel "chloorbenzeen"@nl ;
vcs:vmmParameterId "373"^^xsd:int .
csc:JZHDEEOTEUVLHR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15243 ;
dbo:casNumber "1546-95-8" ;
dbo:formula "C7H2F12O2" ;
dbo:inchi "InChI=1S/C7H2F12O2/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21/h1H,(H,20,21)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptanoic acid"@en ;
dbo:pubchem "15243"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=JZHDEEOTEUVLHR-UHFFFAOYSA-N" ;
skos:altLabel "7h-perfluorheptaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HPFHpA" ;
skos:prefLabel "7H-perfluorheptaanzuur"@nl .
csc:AYJXHIDNNLJQDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:62374 ;
dbo:casNumber "1125-21-9" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3" ;
dbo:iupacName "2,6,6-Trimethylcyclohex-2-ene-1,4-dione"@en ;
dbo:pubchem "62374"^^xsd:int ;
dbo:smiles "CC1=CC(=O)CC(C1=O)(C)C" ;
dbp:inchikey "InChIKey=AYJXHIDNNLJQDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Ooifrn" ;
skos:prefLabel "4-oxoisoforon"@nl .
csc:JFSPBVWPKOEZCB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:90590 ;
dbo:casNumber "68445-15-8" , "24691-80-3" ;
dbo:formula "C12H11NO2" ;
dbo:inchi "InChI=1S/C12H11NO2/c1-9-11(7-8-15-9)12(14)13-10-5-3-2-4-6-10/h2-8H,1H3,(H,13,14)" ;
dbo:iupacName "2-methyl-N-phenylfuran-3-carboxamide"@en ;
dbo:pubchem "90590"^^xsd:int ;
dbo:smiles "CC1=C(C=CO1)C(=O)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=JFSPBVWPKOEZCB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenfrm" ;
skos:prefLabel "fenfuram"@nl .
csc:OUCCVXVYGFBXSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13721 ;
dbo:casNumber "953-17-3" ;
dbo:formula "C9H12ClO2PS3" ;
dbo:inchi "InChI=1S/C9H12ClO2PS3/c1-11-13(14,12-2)16-7-15-9-5-3-8(10)4-6-9/h3-6H,7H2,1-2H3" ;
dbo:iupacName "(4-chlorophenyl)sulfanylmethylsulfanyl-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "13721"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCSC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=OUCCVXVYGFBXSV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbfntoC1y" ;
skos:prefLabel "carbofenothion-methyl"@nl .
csc:CTPKSRZFJSJGML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7215 ;
dbo:casNumber "95-05-6" ;
dbo:formula "C10H20N2S3" ;
dbo:inchi "InChI=1S/C10H20N2S3/c1-5-11(6-2)9(13)15-10(14)12(7-3)8-4/h5-8H2,1-4H3" ;
dbo:iupacName "diethylcarbamothioyl diethylaminomethanedithioate"@en ;
dbo:pubchem "7215"^^xsd:int ;
dbo:smiles "CCN(CC)C(=S)SC(=S)N(CC)CC" ;
dbp:inchikey "InChIKey=CTPKSRZFJSJGML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003260 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "monsfrm" ;
skos:prefLabel "monosulfiram"@nl .
csc:NMPOSNRHZIWLLL-SSHXOBKSSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65034 ;
dbo:casNumber "529-38-4" ;
dbo:formula "C18H23NO4" ;
dbo:inchi "InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13?,14?,15-,16+/m0/s1" ;
dbo:iupacName "ethyl (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate"@en ;
dbo:pubchem "65034"^^xsd:int ;
dbo:smiles "CCOC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=NMPOSNRHZIWLLL-SSHXOBKSSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cocC2ye" ;
skos:prefLabel "cocaethyleen"@nl .
csc:OHSVLFRHMCKCQY-YPZZEJLDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:177429 ;
dbo:casNumber "14391-24-3" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu/i1-2" ;
dbo:iupacName "lutetium-173"@en ;
dbo:pubchem "177429"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "InChIKey=OHSVLFRHMCKCQY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu173" ;
skos:prefLabel "lutetium 173"@nl .
csc:QQINRWTZWGJFDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23965 ;
dbo:casNumber "7440-34-8" ;
dbo:formula "Ac" ;
dbo:inchi "InChI=1S/Ac" ;
dbo:iupacName "ACTINIUM"@en ;
dbo:pubchem "23965"^^xsd:int ;
dbo:smiles "[Ac]" ;
dbp:inchikey "InChIKey=QQINRWTZWGJFDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ac" ;
skos:prefLabel "actinium"@nl .
csc:NHOWDZOIZKMVAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43226 ;
dbo:casNumber "60168-88-9" , "162707-16-6" ;
dbo:formula "C17H12Cl2N2O" ;
dbo:inchi "InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H" ;
dbo:iupacName "(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol"@en ;
dbo:pubchem "43226"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl" ;
dbp:inchikey "InChIKey=NHOWDZOIZKMVAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenarml" ;
skos:prefLabel "fenarimol"@nl .
csc:OBLNWSCLAYSJJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17748 ;
dbo:casNumber "2797-51-5" ;
dbo:formula "C10H6ClNO2" ;
dbo:inchi "InChI=1S/C10H6ClNO2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H,12H2" ;
dbo:iupacName "2-amino-3-chloronaphthalene-1,4-dione"@en ;
dbo:pubchem "17748"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N" ;
dbp:inchikey "InChIKey=OBLNWSCLAYSJJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000153 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quincmn" ;
skos:prefLabel "quinoclamin"@nl .
csc:IKVXBIIHQGXQRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:40520 ;
dbo:casNumber "52756-22-6" ;
dbo:formula "C19H19ClFNO3" ;
dbo:inchi "InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3" ;
dbo:iupacName "propan-2-yl 2-[benzoyl-(3-chloro-4-fluorophenyl)amino]propanoate"@en ;
dbo:pubchem "40520"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C)N(C1=CC(=C(C=C1)F)Cl)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=IKVXBIIHQGXQRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yfpp" ;
skos:prefLabel "iso-propylflamprop"@nl .
csc:PPQNQXQZIWHJRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1674 ;
dbo:casNumber "345299-31-2" , "56-49-5" ;
dbo:formula "C21H16" ;
dbo:inchi "InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3" ;
dbo:iupacName "3-methyl-1,2-dihydrobenzo[j]aceanthrylene"@en ;
dbo:pubchem "1674"^^xsd:int ;
dbo:smiles "CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1" ;
dbp:inchikey "InChIKey=PPQNQXQZIWHJRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1ycltn" ;
skos:prefLabel "3-methylcholantreen"@nl .
csc:RQDJADAKIFFEKQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86138 ;
dbo:casNumber "119611-00-6" , "114369-43-6" ;
dbo:formula "C19H17ClN4" ;
dbo:inchi "InChI=1S/C19H17ClN4/c20-18-8-6-16(7-9-18)10-11-19(12-21,13-24-15-22-14-23-24)17-4-2-1-3-5-17/h1-9,14-15H,10-11,13H2" ;
dbo:iupacName "4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile"@en ;
dbo:pubchem "86138"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)Cl)(CN3C=NC=N3)C#N" ;
dbp:inchikey "InChIKey=RQDJADAKIFFEKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbcnzl" ;
skos:prefLabel "fenbuconazool"@nl .
csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7153 ;
dbo:casNumber "93-65-2" , "7085-19-0" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)" ;
dbo:iupacName "2-(4-Chloro-2-methylphenoxy)propanoic acid"@en ;
dbo:pubchem "7153"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O" ;
dbp:inchikey "InChIKey=WNTGYJSOUMFZEP-UHFFFAOYSA-N" ;
skos:altLabel "mecoprop (mcpp)"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_7085-19-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPP" ;
skos:prefLabel "mecoprop"@nl ;
vcs:vmmParameterId "253"^^xsd:int .
csc:QMMFVYPAHWMCMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1068 ;
dbo:casNumber "31533-72-9" , "75-18-3" ;
dbo:formula "C2H6S" ;
dbo:inchi "InChI=1S/C2H6S/c1-3-2/h1-2H3" ;
dbo:iupacName "methylsulfanylmethane"@en ;
dbo:pubchem "1068"^^xsd:int ;
dbo:smiles "CSC" ;
dbp:inchikey "InChIKey=QMMFVYPAHWMCMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003862 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yS" ;
skos:prefLabel "dimethylsulfide"@nl .
csc:UMPSXRYVXUPCOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11334 ;
dbo:casNumber "25167-81-1" , "576-24-9" ;
dbo:formula "C6H4Cl2O" ;
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H" ;
dbo:iupacName "2,3-Dichlorophenol"@en ;
dbo:pubchem "11334"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)O" ;
dbp:inchikey "InChIKey=UMPSXRYVXUPCOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClFol" ;
skos:prefLabel "2,3-dichloorfenol"@nl .
csc:AYXYPKUFHZROOJ-ZETCQYMHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5486971 ;
dbo:casNumber "148553-50-8" ;
dbo:formula "C8H17NO2" ;
dbo:inchi "InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1" ;
dbo:iupacName "(3S)-3-(aminomethyl)-5-methylhexanoic acid"@en ;
dbo:pubchem "5486971"^^xsd:int ;
dbo:smiles "CC(C)CC(CC(=O)O)CN" ;
dbp:inchikey "InChIKey=AYXYPKUFHZROOJ-ZETCQYMHSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pregbln" ;
skos:prefLabel "pregabalin"@nl .
csc:GPTVQTPMFOLLOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12341 ;
dbo:casNumber "628-34-2" ;
dbo:formula "C4H9ClO" ;
dbo:inchi "InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3" ;
dbo:iupacName "1-CHLORO-2-ETHOXYETHANE"@en ;
dbo:pubchem "12341"^^xsd:int ;
dbo:smiles "CCOCCCl" ;
dbp:inchikey "InChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClEyEtr" ;
skos:prefLabel "2-chloorethylether"@nl .
csc:FSCWZHGZWWDELK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39676 ;
dbo:casNumber "50471-44-8" ;
dbo:formula "C12H9Cl2NO3" ;
dbo:inchi "InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3" ;
dbo:iupacName "3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione"@en ;
dbo:pubchem "39676"^^xsd:int ;
dbo:smiles "CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C" ;
dbp:inchikey "InChIKey=FSCWZHGZWWDELK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "vinczln" ;
skos:prefLabel "vinclozolin"@nl .
csc:CYEKUDPFXBLGHH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11450 ;
dbo:casNumber "585-34-2" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7,11H,1-3H3" ;
dbo:iupacName "3-tert-Butylphenol"@en ;
dbo:pubchem "11450"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=CC=C1)O" ;
dbp:inchikey "InChIKey=CYEKUDPFXBLGHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3ttC4yFol" ;
skos:prefLabel "3-tertiair-butylfenol"@nl .
csc:ZHLKXBJTJHRTTE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7639 ;
dbo:casNumber "103-17-3" ;
dbo:formula "C13H10Cl2S" ;
dbo:inchi "InChI=1S/C13H10Cl2S/c14-11-3-1-10(2-4-11)9-16-13-7-5-12(15)6-8-13/h1-8H,9H2" ;
dbo:iupacName "1-chloro-4-[(4-chlorophenyl)sulfanylmethyl]benzene"@en ;
dbo:pubchem "7639"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ZHLKXBJTJHRTTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clbsde" ;
skos:prefLabel "chloorbenside"@nl .
csc:IVUXTESCPZUGJC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16115 ;
dbo:casNumber "1982-47-4" ;
dbo:formula "C15H15ClN2O2" ;
dbo:inchi "InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)" ;
dbo:iupacName "3-[4-(4-chlorophenoxy)phenyl]-1,1-dimethylurea"@en ;
dbo:pubchem "16115"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=IVUXTESCPZUGJC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cloxrn" ;
skos:prefLabel "chlooroxuron"@nl .
csc:HRQQEXIVBZHHOQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:168503 ;
dbo:casNumber "26264-02-8" ;
dbo:formula "C25H44O6" ;
dbo:inchi "InChI=1S/C25H44O6/c1-2-3-4-5-6-7-8-11-24-12-9-10-13-25(24)31-23-22-30-21-20-29-19-18-28-17-16-27-15-14-26/h9-10,12-13,26H,2-8,11,14-23H2,1H3" ;
dbo:iupacName "2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en ;
dbo:pubchem "168503"^^xsd:int ;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCO" ;
dbp:inchikey "InChIKey=HRQQEXIVBZHHOQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NPEO5" ;
skos:prefLabel "nonylfenolpentaethoxylaat"@nl .
csc:XMJHPCRAQCTCFT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6586 ;
dbo:casNumber "79-22-1" ;
dbo:formula "C2H3ClO2" ;
dbo:inchi "InChI=1S/C2H3ClO2/c1-5-2(3)4/h1H3" ;
dbo:iupacName "METHYL CHLOROFORMATE"@en ;
dbo:pubchem "6586"^^xsd:int ;
dbo:smiles "COC(=O)Cl" ;
dbp:inchikey "InChIKey=XMJHPCRAQCTCFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000364 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yClcbnt" ;
skos:prefLabel "methyl chloorcarbonaat"@nl .
csc:INISTDXBRIBGOC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:50516 ;
dbo:casNumber "69409-94-5" , "79472-91-6" ;
dbo:formula "C26H22ClF3N2O3" ;
dbo:inchi "InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-[[2-chloro-4-(trifluoromethyl)phenyl]amino]-3-methylbutanoate"@en ;
dbo:pubchem "50516"^^xsd:int ;
dbo:smiles "CC(C)C(C(=O)OC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)NC3=C(C=C(C=C3)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=INISTDXBRIBGOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flualnt" ;
skos:prefLabel "fluvalinaat"@nl .
csc:ZHNUHDYFZUAESO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:713 ;
dbo:casNumber "23296-41-5" , "75-12-7" ;
dbo:formula "CH3NO" ;
dbo:inchi "InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)" ;
dbo:iupacName "FORMAMIDE"@en ;
dbo:pubchem "713"^^xsd:int ;
dbo:smiles "C(=O)N" ;
dbp:inchikey "InChIKey=ZHNUHDYFZUAESO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002484 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formAd" ;
skos:prefLabel "formamide"@nl .
csc:DCUJJWWUNKIJPH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16004 ;
dbo:casNumber "1929-82-4" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H" ;
dbo:iupacName "2-Chloro-6-(trichloromethyl)pyridine"@en ;
dbo:pubchem "16004"^^xsd:int ;
dbo:smiles "C1=CC(=NC(=C1)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=DCUJJWWUNKIJPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6TClC1ypr" ;
skos:prefLabel "2-chloor-6-(trichloormethyl)pyridine"@nl .
csc:IOXAXYHXMLCCJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86443 ;
dbo:casNumber "144651-06-9" ;
dbo:formula "C17H18N4O6S" ;
dbo:inchi "InChI=1S/C17H18N4O6S/c1-10-7-11(2)19-16(18-10)20-17(23)21-28(24,25)14-6-4-3-5-13(14)15(22)27-12-8-26-9-12/h3-7,12H,8-9H2,1-2H3,(H2,18,19,20,21,23)" ;
dbo:iupacName "oxetan-3-yl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate"@en ;
dbo:pubchem "86443"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC3COC3)C" ;
dbp:inchikey "InChIKey=IOXAXYHXMLCCJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oasfrn" ;
skos:prefLabel "oxasulfuron"@nl .
csc:DERZBLKQOCDDDZ-JLHYYAGUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1547484 ;
dbo:casNumber "16699-20-0" , "298-57-7" ;
dbo:formula "C26H28N2" ;
dbo:inchi "InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/b13-10+" ;
dbo:iupacName "['1-[di(phenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine', '1-[di(phenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine']"@en ;
dbo:pubchem "1547484"^^xsd:int ;
dbo:smiles "C1CN(CCN1CC=CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4" ;
dbp:inchikey "InChIKey=DERZBLKQOCDDDZ-JLHYYAGUSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cinnarizine"@nl .
csc:BUYMVQAILCEWRR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4420 ;
dbo:casNumber "300-76-5" , "53095-31-1" ;
dbo:formula "C4H7Br2Cl2O4P" ;
dbo:inchi "InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3" ;
dbo:iupacName "(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate"@en ;
dbo:pubchem "4420"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(C(Cl)(Cl)Br)Br" ;
dbp:inchikey "InChIKey=BUYMVQAILCEWRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nald" ;
skos:prefLabel "naled"@nl .
csc:FLTJDUOFAQWHDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11551 ;
dbo:casNumber "590-73-8" , "29222-48-8" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3" ;
dbo:iupacName "2,2-DIMETHYLHEXANE"@en ;
dbo:pubchem "11551"^^xsd:int ;
dbo:smiles "CCCCC(C)(C)C" ;
dbp:inchikey "InChIKey=FLTJDUOFAQWHDF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1yC6a" ;
skos:prefLabel "2,2-dimethylhexaan"@nl .
csc:GKLVYJBZJHMRIY-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:161147 ;
dbo:casNumber "15759-35-0" ;
dbo:formula "Tc" ;
dbo:inchi "InChI=1S/Tc/i1-1" ;
dbo:iupacName "technetium-97"@en ;
dbo:pubchem "161147"^^xsd:int ;
dbo:smiles "[Tc]" ;
dbp:inchikey "InChIKey=GKLVYJBZJHMRIY-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tc97" ;
skos:prefLabel "technetium 97"@nl .
csc:LOOAGTDYKNUDBZ-UXBLZVDNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6107844 ;
dbo:casNumber "13104-21-7" ;
dbo:formula "C10H10BrCl2O4P" ;
dbo:inchi "InChI=1S/C10H10BrCl2O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6+" ;
dbo:iupacName "[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] dimethyl phosphate"@en ;
dbo:pubchem "6107844"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC(=CBr)C1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=LOOAGTDYKNUDBZ-UXBLZVDNSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BrfvfsC1y" ;
skos:prefLabel "broomfenvinfos-methyl"@nl .
csc:VEZXCJBBBCKRPI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2365 ;
dbo:casNumber "57-57-8" ;
dbo:formula "C3H4O2" ;
dbo:inchi "InChI=1S/C3H4O2/c4-3-1-2-5-3/h1-2H2" ;
dbo:iupacName "oxetan-2-one"@en ;
dbo:pubchem "2365"^^xsd:int ;
dbo:smiles "C1COC1=O" ;
dbp:inchikey "InChIKey=VEZXCJBBBCKRPI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001243 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bppoltn" ;
skos:prefLabel "beta-propiolacton"@nl .
csc:MGNFYQILYYYUBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91694 ;
dbo:casNumber "67306-00-7" ;
dbo:formula "C19H31N" ;
dbo:inchi "InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3" ;
dbo:iupacName "1-[3-(4-tert-butylphenyl)-2-methylpropyl]piperidine"@en ;
dbo:pubchem "91694"^^xsd:int ;
dbo:smiles "CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2" ;
dbp:inchikey "InChIKey=MGNFYQILYYYUBS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenppdn" ;
skos:prefLabel "fenpropidin"@nl .
csc:YXWCBRDRVXHABN-JCMHNJIXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6033664 ;
dbo:casNumber "69770-45-2" ;
dbo:formula "C28H22Cl2FNO3" ;
dbo:inchi "InChI=1S/C28H22Cl2FNO3/c1-28(2)21(15-22(30)17-8-11-19(29)12-9-17)26(28)27(33)35-25(16-32)18-10-13-23(31)24(14-18)34-20-6-4-3-5-7-20/h3-15,21,25-26H,1-2H3/b22-15-" ;
dbo:iupacName "['[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[4-fluoro-3-(phenoxy)phenyl]methyl] 3-[2-chloro-2-(4-chlorophenyl)ethenyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en ;
dbo:pubchem "6033664"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(C4=CC=C(C=C4)Cl)Cl)C" ;
dbp:inchikey "InChIKey=YXWCBRDRVXHABN-JCMHNJIXSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flumtn" ;
skos:prefLabel "flumethrin"@nl .
csc:VXSNJXDZTGFDMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36325 ;
dbo:casNumber "51550-40-4" , "33089-74-6" ;
dbo:formula "C10H15ClN2" ;
dbo:inchi "InChI=1S/C10H14N2.ClH/c1-8-4-5-10(9(2)6-8)12-7-11-3;/h4-7H,1-3H3,(H,11,12);1H" ;
dbo:iupacName "N-(2,4-dimethylphenyl)-N'-methylmethanimidamide hydrochloride"@en ;
dbo:pubchem "36325"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)[NH2+]C=NC)C.[Cl-]" ;
dbp:inchikey "InChIKey=VXSNJXDZTGFDMB-UHFFFAOYSA-N" ;
skos:altLabel "n'-(2,4-dimethylfenyl)-n-methylformamidine"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N24DC1yFyNC1" ;
skos:prefLabel "N'-(2,4-dimethylfenyl)-N-methylformamidine"@nl .
csc:JFPVXVDWJQMJEE-SWWZKJRFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5361202 ;
dbo:casNumber "55268-75-2" ;
dbo:formula "C16H16N4O8S" ;
dbo:inchi "InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9+/t10-,14-/m1/s1" ;
dbo:iupacName "['(6R,7R)-3-(carbamoyloxymethyl)-7-[[(2E)-2-furan-2-yl-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid', '(6R,7R)-3-(carbamoyloxymethyl)-7-[(2-furan-2-yl-2-methoxyiminoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid']"@en ;
dbo:pubchem "5361202"^^xsd:int ;
dbo:smiles "CON=C(C1=CC=CO1)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O" ;
dbp:inchikey "InChIKey=JFPVXVDWJQMJEE-SWWZKJRFSA-N" ;
skos:broader csc:CHEMONTID_0004410 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cefrxm" ;
skos:prefLabel "cefuroxim"@nl .
csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6800 ;
dbo:casNumber "85-22-3" ;
dbo:formula "C8H5Br5" ;
dbo:inchi "InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-ethylbenzene"@en ;
dbo:pubchem "6800"^^xsd:int ;
dbo:smiles "CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=FIAXCDIQXHJNIX-UHFFFAOYSA-N" ;
skos:altLabel "pentabroomethylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0001098 ;
skos:exactMatch wise:CAS_85-22-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345PeBrC2y" ;
skos:prefLabel "2,3,4,5,6-pentabroomethylbenzeen"@nl ;
vcs:vmmParameterId "999"^^xsd:int .
csc:UIKROCXWUNQSPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:408 ;
dbo:casNumber "486-56-6" ;
dbo:formula "C10H12N2O" ;
dbo:inchi "InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3" ;
dbo:iupacName "1-methyl-5-pyridin-3-ylpyrrolidin-2-one"@en ;
dbo:pubchem "408"^^xsd:int ;
dbo:smiles "CN1C(CCC1=O)C2=CN=CC=C2" ;
dbp:inchikey "InChIKey=UIKROCXWUNQSPJ-UHFFFAOYSA-N" ;
skos:altLabel "(5s)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon"@nl ;
skos:broader csc:CHEMONTID_0001975 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5S1C1y53prdn" ;
skos:prefLabel "(5S)-1-methyl-5-(3-pyridinyl)-2-pyrrolidinon"@nl .
csc:NOCJXYPHIIZEHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:56206 ;
dbo:casNumber "98106-17-3" ;
dbo:formula "C21H19F2N3O3" ;
dbo:inchi "InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)" ;
dbo:iupacName "6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "56206"^^xsd:int ;
dbo:smiles "CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F" ;
dbp:inchikey "InChIKey=NOCJXYPHIIZEHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "difloxacine"@nl .
csc:OIZXRZCQJDXPFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:69968 ;
dbo:casNumber "72269-30-8" , "822-23-1" ;
dbo:formula "C20H40O2" ;
dbo:inchi "InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h3-19H2,1-2H3" ;
dbo:iupacName "Octadecyl acetate"@en ;
dbo:pubchem "69968"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCOC(=O)C" ;
dbp:inchikey "InChIKey=OIZXRZCQJDXPFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001722 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18yactt" ;
skos:prefLabel "octadecylacetaat"@nl .
csc:JFALSRSLKYAFGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23989 ;
dbo:casNumber "22541-40-8" , "7440-61-1" , "24678-82-8" , "16089-60-4" , "13598-56-6" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U" ;
dbo:iupacName "URANIUM"@en ;
dbo:pubchem "23989"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-UHFFFAOYSA-N" ;
skos:altLabel "uranium 238"@nl , "uranium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000430 ;
skos:exactMatch wise:CAS_7440-61-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U" , "U238" ;
skos:prefLabel "uranium"@nl ;
vcs:vmmParameterId "525"^^xsd:int , "524"^^xsd:int , "1978"^^xsd:int , "523"^^xsd:int .
csc:REJHVSOVQBJEBF-OWOJBTEDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5284378 ;
dbo:casNumber "65941-98-2" , "81-11-8" ;
dbo:formula "C14H14N2O6S2" ;
dbo:inchi "InChI=1S/C14H14N2O6S2/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22)/b2-1+" ;
dbo:iupacName "['5-amino-2-[2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-amino-2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]benzenesulfonic acid']"@en ;
dbo:pubchem "5284378"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=REJHVSOVQBJEBF-OWOJBTEDSA-N" ;
skos:broader csc:CHEMONTID_0004785 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAosb22Dsf" ;
skos:prefLabel "4,4'-diaminostilbeen-2,2'-disulfonzuur"@nl .
csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3026 ;
dbo:casNumber "84-74-2" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3" ;
dbo:iupacName "dibutyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "3026"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC" ;
dbp:inchikey "InChIKey=DOIRQSBPFJWKBE-UHFFFAOYSA-N" ;
skos:altLabel "dibutylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-74-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC4yFt" ;
skos:prefLabel "di-n-butylftalaat"@nl ;
vcs:vmmParameterId "61"^^xsd:int .
csc:BPRHUIZQVSMCRT-YXWZHEERSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6439133 ;
dbo:casNumber "287714-41-4" ;
dbo:formula "C22H28FN3O6S" ;
dbo:inchi "InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1" ;
dbo:iupacName "(E,3R,5R)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid"@en ;
dbo:pubchem "6439133"^^xsd:int ;
dbo:smiles "CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=BPRHUIZQVSMCRT-YXWZHEERSA-N" ;
skos:broader csc:CHEMONTID_0002308 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rosvstne" ;
skos:prefLabel "rosuvastatine"@nl .
csc:MTBZIGHNGSTDJV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21207 ;
dbo:casNumber "5131-24-8" ;
dbo:formula "C12H14NO4PS" ;
dbo:inchi "InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "2-diethoxyphosphinothioylisoindole-1,3-dione"@en ;
dbo:pubchem "21207"^^xsd:int ;
dbo:smiles "CCOP(=S)(N1C(=O)C2=CC=CC=C2C1=O)OCC" ;
dbp:inchikey "InChIKey=MTBZIGHNGSTDJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtlfs" ;
skos:prefLabel "ditalimfos"@nl .
csc:GYVGXEWAOAAJEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7471 ;
dbo:casNumber "99-97-8" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7H,1-3H3" ;
dbo:iupacName "N,N,4-Trimethylaniline"@en ;
dbo:pubchem "7471"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "InChIKey=GYVGXEWAOAAJEU-UHFFFAOYSA-N" ;
skos:altLabel "n,n,4-trimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NN4TC1yAn" ;
skos:prefLabel "N,N,4-trimethylaniline"@nl .
csc:VAOCPAMSLUNLGC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4173 ;
dbo:casNumber "99616-64-5" , "443-48-1" ;
dbo:formula "C6H9N3O3" ;
dbo:inchi "InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3" ;
dbo:iupacName "2-(2-methyl-5-nitroimidazol-1-yl)ethanol"@en ;
dbo:pubchem "4173"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1CCO)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=VAOCPAMSLUNLGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metndzl" ;
skos:prefLabel "metronidazol"@nl .
csc:OSAYFGJUEOYRHY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66631 ;
dbo:casNumber "89-21-4" ;
dbo:formula "C7H6ClNO3" ;
dbo:inchi "InChI=1S/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-1-methoxy-2-nitrobenzene"@en ;
dbo:pubchem "66631"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=OSAYFGJUEOYRHY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004671 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2ansl" ;
skos:prefLabel "4-chloor-2-nitroanisool"@nl .
csc:MNOJRWOWILAHAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11563 ;
dbo:casNumber "591-20-8" ;
dbo:formula "C6H5BrO" ;
dbo:inchi "InChI=1S/C6H5BrO/c7-5-2-1-3-6(8)4-5/h1-4,8H" ;
dbo:iupacName "3-BROMOPHENOL"@en ;
dbo:pubchem "11563"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Br)O" ;
dbp:inchikey "InChIKey=MNOJRWOWILAHAV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002767 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3BrFol" ;
skos:prefLabel "3-broomfenol"@nl .
csc:KTWOOEGAPBSYNW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7611 ;
dbo:casNumber "55404-68-7" , "51364-12-6" , "102-54-5" ;
dbo:formula "C10H10Fe" ;
dbo:inchi "InChI=1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2" ;
dbo:iupacName "cyclopenta-1,3-diene; iron(+2) cation"@en ;
dbo:pubchem "7611"^^xsd:int ;
dbo:smiles "[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]" ;
dbp:inchikey "InChIKey=KTWOOEGAPBSYNW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004477 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ferrcn" ;
skos:prefLabel "ferroceen"@nl .
csc:KDLHZDBZIXYQEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23938 ;
dbo:casNumber "7440-05-3" ;
dbo:formula "Pd" ;
dbo:inchi "InChI=1S/Pd" ;
dbo:iupacName "PALLADIUM"@en ;
dbo:pubchem "23938"^^xsd:int ;
dbo:smiles "[Pd]" ;
dbp:inchikey "InChIKey=KDLHZDBZIXYQEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pd" ;
skos:prefLabel "palladium"@nl .
csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5656 ;
dbo:casNumber "93413-69-5" ;
dbo:formula "C17H27NO2" ;
dbo:inchi "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3" ;
dbo:iupacName "1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol"@en ;
dbo:pubchem "5656"^^xsd:int ;
dbo:smiles "CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O" ;
dbp:inchikey "InChIKey=PNVNVHUZROJLTJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:exactMatch wise:CAS_93413-69-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "venlfxne" ;
skos:prefLabel "venlafaxine"@nl ;
vcs:vmmParameterId "1471"^^xsd:int .
csc:CTJBHIROCMPUKL-WEVVVXLNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9571009 ;
dbo:casNumber "34681-23-7" ;
dbo:formula "C7H14N2O4S" ;
dbo:inchi "InChI=1S/C7H14N2O4S/c1-5(6(2)14(4,11)12)9-13-7(10)8-3/h6H,1-4H3,(H,8,10)/b9-5+" ;
dbo:iupacName "(3-methylsulfonylbutan-2-ylideneamino) N-methylcarbamate"@en ;
dbo:pubchem "9571009"^^xsd:int ;
dbo:smiles "CC(C(=NOC(=O)NC)C)S(=O)(=O)C" ;
dbp:inchikey "InChIKey=CTJBHIROCMPUKL-WEVVVXLNSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butcbOxmsfn" ;
skos:prefLabel "butocarboximsulfon"@nl .
csc:BAZVSMNPJJMILC-OLZOCXBDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:93469 ;
dbo:casNumber "82200-72-4" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3/t12-,13+/m1/s1" ;
dbo:iupacName "(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "93469"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=BAZVSMNPJJMILC-OLZOCXBDSA-N" ;
skos:altLabel "triadimenol-B"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TadmnlB" ;
skos:prefLabel "triadimenol-b"@nl .
csc:ZBMZVLHSJCTVON-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5253 ;
dbo:casNumber "27948-47-6" , "3930-20-9" ;
dbo:formula "C12H20N2O3S" ;
dbo:inchi "InChI=1S/C12H20N2O3S/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17/h4-7,9,12-15H,8H2,1-3H3" ;
dbo:iupacName "N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide"@en ;
dbo:pubchem "5253"^^xsd:int ;
dbo:smiles "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O" ;
dbp:inchikey "InChIKey=ZBMZVLHSJCTVON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sotll" ;
skos:prefLabel "sotalol"@nl .
csc:MBEBPYJMHLBHDJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:25211 ;
dbo:casNumber "10375-96-9" ;
dbo:formula "C14H22" ;
dbo:inchi "InChI=1S/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3" ;
dbo:iupacName "1,4-dimethyl-2,5-di(propan-2-yl)benzene"@en ;
dbo:pubchem "25211"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1C(C)C)C)C(C)C" ;
dbp:inchikey "InChIKey=MBEBPYJMHLBHDJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1y25DiC3" ;
skos:prefLabel "1,4-dimethyl-2,5-diisopropylbenzeen"@nl .
csc:FAEKWTJYAYMJKF-QHCPKHFHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:65981 ;
dbo:casNumber "135062-02-1" ;
dbo:formula "C27H36N2O4" ;
dbo:inchi "InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)/t23-/m0/s1" ;
dbo:iupacName "2-ethoxy-4-[2-[[(1S)-3-methyl-1-(2-piperidin-1-ylphenyl)butyl]amino]-2-oxoethyl]benzoic acid"@en ;
dbo:pubchem "65981"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O" ;
dbp:inchikey "InChIKey=FAEKWTJYAYMJKF-QHCPKHFHSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "repgnde" ;
skos:prefLabel "repaglinide"@nl .
csc:VOEYXMAFNDNNED-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14322 ;
dbo:casNumber "1129-41-5" ;
dbo:formula "C9H11NO2" ;
dbo:inchi "InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)" ;
dbo:iupacName "(3-methylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "14322"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)OC(=O)NC" ;
dbp:inchikey "InChIKey=VOEYXMAFNDNNED-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcb" ;
skos:prefLabel "metolcarb"@nl .
csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4929 ;
dbo:casNumber "83653-07-0" , "7287-19-6" ;
dbo:formula "C10H19N5S" ;
dbo:inchi "InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-methylsulfanyl-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4929"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)NC(C)C" ;
dbp:inchikey "InChIKey=AAEVYOVXGOFMJO-UHFFFAOYSA-N" ;
skos:altLabel "prometryne"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_7287-19-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "promtne" ;
skos:prefLabel "prometryn"@nl ;
vcs:vmmParameterId "530"^^xsd:int .
csc:ZDLMBNHYTPHDLF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38025 ;
dbo:casNumber "38411-25-5" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-1-2-6(14)10(17)8(5)4-3-7(15)11(18)12(19)9(4)16/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38025"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZDLMBNHYTPHDLF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB174" ;
skos:prefLabel "2,2',3,3',4,5,6'-heptachloorbifenyl"@nl .
csc:QWDBCIAVABMJPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11799 ;
dbo:casNumber "605-45-8" ;
dbo:formula "C14H18O4" ;
dbo:inchi "InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "dipropan-2-yl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "11799"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C" ;
dbp:inchikey "InChIKey=QWDBCIAVABMJPP-UHFFFAOYSA-N" ;
skos:altLabel "diisopropylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yFt" ;
skos:prefLabel "di-isopropylftalaat"@nl .
csc:UUGLSEIATNSHRI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:79372 ;
dbo:casNumber "100091-50-7" , "5395-50-6" , "53272-25-6" ;
dbo:formula "C8H14N4O6" ;
dbo:inchi "InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2" ;
dbo:iupacName "1,3,4,6-tetrakis(hydroxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione"@en ;
dbo:pubchem "79372"^^xsd:int ;
dbo:smiles "C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O" ;
dbp:inchikey "InChIKey=UUGLSEIATNSHRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001149 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1olactlDu" ;
skos:prefLabel "tetramethanol-acetyleendiureum"@nl .
csc:OXNIZHLAWKMVMX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6954 ;
dbo:casNumber "189195-39-9" , "29663-11-4" , "190402-10-9" , "88-89-1" ;
dbo:formula "C6H3N3O7" ;
dbo:inchi "InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H" ;
dbo:iupacName "2,4,6-Trinitrophenol"@en ;
dbo:pubchem "6954"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=OXNIZHLAWKMVMX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000141 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TNO2Fol" ;
skos:prefLabel "2,4,6-trinitrofenol"@nl .
csc:STVZJERGLQHEKB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7355 ;
dbo:casNumber "141104-76-9" , "25721-76-0" , "97-90-5" , "156940-26-0" , "92308-31-1" , "156932-37-5" , "170006-96-9" , "216753-70-7" , "51026-92-7" , "205501-13-9" , "138454-60-1" , "156168-97-7" , "135623-36-8" , "56480-56-9" , "25852-47-5" , "121978-90-3" , "138533-09-2" , "73212-53-0" , "81897-47-4" , "62886-53-7" , "130865-23-5" , "37211-46-4" , "108772-05-0" , "37311-07-2" , "154855-14-8" , "121266-93-1" , "12738-39-5" ;
dbo:formula "C10H14O4" ;
dbo:inchi "InChI=1S/C10H14O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h1,3,5-6H2,2,4H3" ;
dbo:iupacName "2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7355"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OCCOC(=O)C(=C)C" ;
dbp:inchikey "InChIKey=STVZJERGLQHEKB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3ezr2C1y11" ;
skos:prefLabel "2-propeenzuur,2-methyl-,1,1'-(1,2-ethaandiyl)ester"@nl .
csc:PSIFNNKUMBGKDQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3961 ;
dbo:casNumber "114798-26-4" ;
dbo:formula "C22H23ClN6O" ;
dbo:inchi "InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28)" ;
dbo:iupacName "[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol"@en ;
dbo:pubchem "3961"^^xsd:int ;
dbo:smiles "CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl" ;
dbp:inchikey "InChIKey=PSIFNNKUMBGKDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lostan" ;
skos:prefLabel "losartan"@nl .
csc:OHBQPCCCRFSCAX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9016 ;
dbo:casNumber "150-78-7" ;
dbo:formula "C8H10O2" ;
dbo:inchi "InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3" ;
dbo:iupacName "1,4-Dimethoxybenzene"@en ;
dbo:pubchem "9016"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=OHBQPCCCRFSCAX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DC1oxBen" ;
skos:prefLabel "1,4-dimethoxybenzeen"@nl .
csc:OXHDYFKENBXUEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17112 ;
dbo:casNumber "174491-49-7" , "2439-99-8" , "174491-47-5" , "174491-50-0" ;
dbo:formula "C4H11NO8P2" ;
dbo:inchi "InChI=1S/C4H11NO8P2/c6-4(7)1-5(2-14(8,9)10)3-15(11,12)13/h1-3H2,(H,6,7)(H2,8,9,10)(H2,11,12,13)" ;
dbo:iupacName "2-(bis(phosphonomethyl)amino)acetic acid"@en ;
dbo:pubchem "17112"^^xsd:int ;
dbo:smiles "C(C(=O)O)N(CP(=O)(O)O)CP(=O)(O)O" ;
dbp:inchikey "InChIKey=OXHDYFKENBXUEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "glyfsnt" ;
skos:prefLabel "glyfosine"@nl .
csc:YAIKCRUPEVOINQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8338 ;
dbo:casNumber "117-62-4" ;
dbo:formula "C10H9NO6S2" ;
dbo:inchi "InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)" ;
dbo:iupacName "2-Aminonaphthalene-1,5-disulfonic acid"@en ;
dbo:pubchem "8338"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=YAIKCRUPEVOINQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2AoNaf15Dsfz" ;
skos:prefLabel "2-aminonaftaleen-1,5-disulfonzuur"@nl .
csc:NIKBCKTWWPVAIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6642 ;
dbo:casNumber "80-44-4" ;
dbo:formula "C10H14O3S" ;
dbo:inchi "InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3" ;
dbo:iupacName "Butyl benzenesulfonate"@en ;
dbo:pubchem "6642"^^xsd:int ;
dbo:smiles "CCCCOS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NIKBCKTWWPVAIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBensfnt" ;
skos:prefLabel "butylbenzeensulfonaat"@nl .
csc:YGSDEFSMJLZEOE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:338 ;
dbo:casNumber "69-72-7" , "7681-06-3" , "8052-31-1" ;
dbo:formula "C7H6O3" ;
dbo:inchi "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" ;
dbo:iupacName "2-Hydroxybenzoic acid"@en ;
dbo:pubchem "338"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)O)O" ;
dbp:inchikey "InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002514 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "salczr" ;
skos:prefLabel "salicylzuur"@nl .
csc:SSZWWUDQMAHNAQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7290 ;
dbo:casNumber "96-24-2" , "69420-22-0" , "52340-46-2" ;
dbo:formula "C3H7ClO2" ;
dbo:inchi "InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2" ;
dbo:iupacName "3-Chloropropane-1,2-diol"@en ;
dbo:pubchem "7290"^^xsd:int ;
dbo:smiles "C(C(CCl)O)O" ;
dbp:inchikey "InChIKey=SSZWWUDQMAHNAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MClhdne" ;
skos:prefLabel "monochloorhydrine"@nl .
csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7914 ;
dbo:casNumber "108-20-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5(2)7-6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2-propan-2-yloxypropane"@en ;
dbo:pubchem "7914"^^xsd:int ;
dbo:smiles "CC(C)OC(C)C" ;
dbp:inchikey "InChIKey=ZAFNJMIOTHYJRJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_008 , co:LUC_IV_011 ;
skos:altLabel "di-isopropylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC3yEtr" ;
skos:prefLabel "diisopropylether"@nl .
csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'vinylchloride'"@nl , "VLAREM bijlage 2.5.1 'monovinylchloride'"@nl , "VLAR II Art. 5.7.7.1"@nl ;
rdfs:seeAlso compound:6338 ;
dbo:casNumber "9002-86-2" , "75-01-4" ;
dbo:formula "C2H3Cl" ;
dbo:inchi "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2" ;
dbo:iupacName "Chloroethene"@en ;
dbo:pubchem "6338"^^xsd:int ;
dbo:smiles "C=CCl" ;
dbp:inchikey "InChIKey=BZHJMEDXRYGGRV-UHFFFAOYSA-N" ;
skos:altLabel "chlooretheen (vinylchloride)"@nl , "vinylchloride"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_75-01-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC2e" ;
skos:prefLabel "vinylchloride "@nl ;
vcs:vmmParameterId "570"^^xsd:int .
csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11844 ;
dbo:casNumber "27134-27-6" , "608-27-5" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2" ;
dbo:iupacName "2,3-Dichloroaniline"@en ;
dbo:pubchem "11844"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N" ;
dbp:inchikey "InChIKey=BRPSAOUFIJSKOT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_608-27-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClAn" ;
skos:prefLabel "2,3-dichlooraniline"@nl ;
vcs:vmmParameterId "43"^^xsd:int .
csc:KGKGSIUWJCAFPX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15968 ;
dbo:casNumber "1918-13-4" ;
dbo:formula "C7H5Cl2NS" ;
dbo:inchi "InChI=1S/C7H5Cl2NS/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzenecarbothioamide"@en ;
dbo:pubchem "15968"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=N)S)Cl" ;
dbp:inchikey "InChIKey=KGKGSIUWJCAFPX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CltaAd" ;
skos:prefLabel "chloorthiamide"@nl .
csc:SRSXLGNVWSONIS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7371 ;
dbo:casNumber "98-11-3" ;
dbo:formula "C6H6O3S" ;
dbo:inchi "InChI=1S/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)" ;
dbo:iupacName "BENZENESULFONIC ACID"@en ;
dbo:pubchem "7371"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=SRSXLGNVWSONIS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bensfzr" ;
skos:prefLabel "benzeensulfonzuur"@nl .
csc:HOPMUCXYRNOABF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40481 ;
dbo:casNumber "52663-74-8" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-4-1-5(9(16)7(14)2-4)6-3-8(15)11(18)12(19)10(6)17/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40481"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HOPMUCXYRNOABF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB172" ;
skos:prefLabel "2,2',3,3',4,5,5'-heptachloorbifenyl"@nl .
csc:KBPLFHHGFOOTCA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:957 ;
dbo:casNumber "68603-15-6" , "67700-96-3" , "111-87-5" , "220713-26-8" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3" ;
dbo:iupacName "OCTAN-1-OL"@en ;
dbo:pubchem "957"^^xsd:int ;
dbo:smiles "CCCCCCCCO" ;
dbp:inchikey "InChIKey=KBPLFHHGFOOTCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C8ol" ;
skos:prefLabel "1-octanol"@nl .
csc:DNXXUUPUQXSUFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:68191 ;
dbo:casNumber "515-40-2" ;
dbo:formula "C10H13Cl" ;
dbo:inchi "InChI=1S/C10H13Cl/c1-10(2,8-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3" ;
dbo:iupacName "(1-chloro-2-methylpropan-2-yl)benzene"@en ;
dbo:pubchem "68191"^^xsd:int ;
dbo:smiles "CC(C)(CCl)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=DNXXUUPUQXSUFH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl11DC1yC2y" ;
skos:prefLabel "2-chloor-1,1-dimethylethylbenzeen"@nl .
csc:RZJRJXONCZWCBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11635 ;
dbo:casNumber "593-45-3" ;
dbo:formula "C18H38" ;
dbo:inchi "InChI=1S/C18H38/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3-18H2,1-2H3" ;
dbo:iupacName "Octadecane"@en ;
dbo:pubchem "11635"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=RZJRJXONCZWCBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18a" ;
skos:prefLabel "octadecaan"@nl .
csc:VDFVNEFVBPFDSB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10450 ;
dbo:casNumber "505-22-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-2-5-4-6-3-1/h1-4H2" ;
dbo:iupacName "1,3-DIOXANE"@en ;
dbo:pubchem "10450"^^xsd:int ;
dbo:smiles "C1COCOC1" ;
dbp:inchikey "InChIKey=VDFVNEFVBPFDSB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DOxan" ;
skos:prefLabel "1,3-dioxaan"@nl .
csc:HZEBHPIOVYHPMT-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6328544 ;
dbo:casNumber "13981-52-7" ;
dbo:formula "Po" ;
dbo:inchi "InChI=1S/Po/i1+1" ;
dbo:iupacName "polonium-210"@en ;
dbo:pubchem "6328544"^^xsd:int ;
dbo:smiles "[Po]" ;
dbp:inchikey "InChIKey=HZEBHPIOVYHPMT-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Po210" ;
skos:prefLabel "polonium 210"@nl .
csc:DSBIJCMXAIKKKI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7444 ;
dbo:casNumber "99-55-8" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methyl-5-nitroaniline"@en ;
dbo:pubchem "7444"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=DSBIJCMXAIKKKI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5NO2otlidne" ;
skos:prefLabel "5-nitro-ortho-toluidine"@nl .
csc:SSIZLKDLDKIHEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11847 ;
dbo:casNumber "608-33-3" ;
dbo:formula "C6H4Br2O" ;
dbo:inchi "InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H" ;
dbo:iupacName "2,6-Dibromophenol"@en ;
dbo:pubchem "11847"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)O)Br" ;
dbp:inchikey "InChIKey=SSIZLKDLDKIHEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002768 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DBrFol" ;
skos:prefLabel "2,6-dibroomfenol"@nl .
csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37034 ;
dbo:casNumber "35065-27-1" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37034"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MVWHGTYKUMDIHL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',4,4',5,5'-hexachloorbifenyl"@nl , "pcb 153"@nl , "2,2',4,4',5,5'-hexachloorbifenyl (pcb153)"@nl , "pcb-153"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-27-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB153" ;
skos:prefLabel "PCB-153"@nl ;
vcs:vmmParameterId "1415"^^xsd:int , "438"^^xsd:int .
csc:LMNZTLDVJIUSHT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12901 ;
dbo:casNumber "732-11-6" , "5104-30-3" ;
dbo:formula "C11H12NO4PS2" ;
dbo:inchi "InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3" ;
dbo:iupacName "2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione"@en ;
dbo:pubchem "12901"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O" ;
dbp:inchikey "InChIKey=LMNZTLDVJIUSHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosmt" ;
skos:prefLabel "fosmet"@nl .
csc:DVBJBNKEBPCGSY-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8816 ;
dbo:casNumber "140-72-7" ;
dbo:formula "C21H38BrN" ;
dbo:inchi "InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "1-hexadecylpyridin-1-ium bromide"@en ;
dbo:pubchem "8816"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]" ;
dbp:inchikey "InChIKey=DVBJBNKEBPCGSY-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "hexadecylpyridinium"@nl .
csc:CIFWZNRJIBNXRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86296 ;
dbo:casNumber "110235-47-7" ;
dbo:formula "C14H13N3" ;
dbo:inchi "InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)" ;
dbo:iupacName "4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine"@en ;
dbo:pubchem "86296"^^xsd:int ;
dbo:smiles "CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CIFWZNRJIBNXRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepnprm" ;
skos:prefLabel "mepanipyrim"@nl .
csc:DENRZWYUOJLTMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6163 ;
dbo:casNumber "64-67-5" , "182115-04-4" , "98503-29-8" ;
dbo:formula "C4H10O4S" ;
dbo:inchi "InChI=1S/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "Diethyl sulfate"@en ;
dbo:pubchem "6163"^^xsd:int ;
dbo:smiles "CCOS(=O)(=O)OCC" ;
dbp:inchikey "InChIKey=DENRZWYUOJLTMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001184 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2ySO4" ;
skos:prefLabel "diethylsulfaat"@nl .
csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D2)"@nl ;
rdfs:seeAlso compound:9153 ;
dbo:casNumber "205-99-2" ;
dbo:formula "C20H12" ;
dbo:inchi "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H" ;
dbo:iupacName "pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene"@en ;
dbo:pubchem "9153"^^xsd:int ;
dbo:smiles "C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1" ;
dbp:inchikey "InChIKey=FTOVXSOBNPWTSH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(b)fluorantheen (b)"@nl , "benzo(b)fluorantheen"@nl ;
skos:broader csc:CHEMONTID_0000025 ;
skos:exactMatch wise:CAS_205-99-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BbF" ;
skos:prefLabel "benzo(b)fluoran-teen"@nl ;
vcs:vmmParameterId "422"^^xsd:int , "1424"^^xsd:int .
csc:FOANIXZHAMJWOI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28936 ;
dbo:casNumber "18181-80-1" , "39394-17-7" ;
dbo:formula "C17H16Br2O3" ;
dbo:inchi "InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3" ;
dbo:iupacName "propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "28936"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Br)(C2=CC=C(C=C2)Br)O" ;
dbp:inchikey "InChIKey=FOANIXZHAMJWOI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brpplt" ;
skos:prefLabel "broompropylaat"@nl .
csc:IANUJLZYFUDJIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86429 ;
dbo:casNumber "142459-58-3" ;
dbo:formula "C14H13F4N3O2S" ;
dbo:inchi "InChI=1S/C14H13F4N3O2S/c1-8(2)21(10-5-3-9(15)4-6-10)11(22)7-23-13-20-19-12(24-13)14(16,17)18/h3-6,8H,7H2,1-2H3" ;
dbo:iupacName "N-(4-fluorophenyl)-N-propan-2-yl-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]acetamide"@en ;
dbo:pubchem "86429"^^xsd:int ;
dbo:smiles "CC(C)N(C1=CC=C(C=C1)F)C(=O)COC2=NN=C(S2)C(F)(F)F" ;
dbp:inchikey "InChIKey=IANUJLZYFUDJIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_142459-58-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnct" ;
skos:prefLabel "flufenacet"@nl ;
vcs:vmmParameterId "976"^^xsd:int .
csc:AHANXAKGNAKFSK-IUQGRGSQSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5282827 ;
dbo:casNumber "2091-27-2" ;
dbo:formula "C20H34O2" ;
dbo:inchi "InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3+,7-6+,10-9+" ;
dbo:iupacName "['(11E,14E,17E)-icosa-11,14,17-trienoic acid', 'icosa-11,14,17-trienoic acid']"@en ;
dbo:pubchem "5282827"^^xsd:int ;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=AHANXAKGNAKFSK-IUQGRGSQSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c111417C20aT" ;
skos:prefLabel "cis-11,14,17-eicosatrieenzuur"@nl .
csc:XRJLAOUDSILTFT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91665 ;
dbo:casNumber "57369-32-1" , "84930-99-4" ;
dbo:formula "C11H11NO" ;
dbo:inchi "InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2" ;
dbo:iupacName "1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one"@en ;
dbo:pubchem "91665"^^xsd:int ;
dbo:smiles "C1CC(=O)N2CCC3=CC=CC1=C32" ;
dbp:inchikey "InChIKey=XRJLAOUDSILTFT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrqln" ;
skos:prefLabel "pyroquilon"@nl .
csc:NLXLAEXVIDQMFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25517 ;
dbo:casNumber "50295-88-0" , "128532-42-3" , "54450-56-5" , "55871-05-1" , "154383-48-9" , "89485-85-8" , "15630-61-2" , "12125-02-9" , "127634-24-6" , "20548-08-7" , "89485-84-7" , "75944-36-4" ;
dbo:formula "ClH4N" ;
dbo:inchi "InChI=1S/ClH.H3N/h1H;1H3" ;
dbo:iupacName "azanium chloride"@en ;
dbo:pubchem "25517"^^xsd:int ;
dbo:smiles "[NH4+].[Cl-]" ;
dbp:inchikey "InChIKey=NLXLAEXVIDQMFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000437 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NH4Cl" ;
skos:prefLabel "ammoniumchloride"@nl .
csc:GRYLNZFGIOXLOG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:944 ;
dbo:casNumber "68412-17-9" , "7697-37-2" , "218625-70-8" , "78989-43-2" , "12507-77-6" ;
dbo:formula "HNO3" ;
dbo:inchi "InChI=1S/HNO3/c2-1(3)4/h(H,2,3,4)" ;
dbo:iupacName "Nitric acid"@en ;
dbo:pubchem "944"^^xsd:int ;
dbo:smiles "[N+](=O)(O)[O-]" ;
dbp:inchikey "InChIKey=GRYLNZFGIOXLOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001062 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HNO3" ;
skos:prefLabel "salpeterzuur"@nl .
csc:DWRKFAJEBUWTQM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91673 ;
dbo:casNumber "60207-93-4" , "71245-23-3" ;
dbo:formula "C14H15Cl2N3O2" ;
dbo:inchi "InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "91673"^^xsd:int ;
dbo:smiles "CCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=DWRKFAJEBUWTQM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etcnzl" ;
skos:prefLabel "etaconazool"@nl .
csc:XCSNRORTQRKCHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6740 ;
dbo:casNumber "83-42-1" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "1-Chloro-2-methyl-3-nitrobenzene"@en ;
dbo:pubchem "6740"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XCSNRORTQRKCHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_83-42-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6NO2Tol" ;
skos:prefLabel "2-chloor-6-nitrotolueen"@nl ;
vcs:vmmParameterId "771"^^xsd:int .
csc:RWCCWEUUXYIKHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3102 ;
dbo:casNumber "119-61-9" ;
dbo:formula "C13H10O" ;
dbo:inchi "InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "di(phenyl)methanone"@en ;
dbo:pubchem "3102"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=RWCCWEUUXYIKHB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzfnn" ;
skos:prefLabel "benzofenon"@nl .
csc:FSGNOVKGEXRRHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:89040 ;
dbo:casNumber "21757-82-4" ;
dbo:formula "C10H7Cl5O2" ;
dbo:inchi "InChI=1S/C10H7Cl5O2/c1-5(16)17-9(10(13,14)15)6-2-3-7(11)8(12)4-6/h2-4,9H,1H3" ;
dbo:iupacName "[2,2,2-trichloro-1-(3,4-dichlorophenyl)ethyl] acetate"@en ;
dbo:pubchem "89040"^^xsd:int ;
dbo:smiles "CC(=O)OC(C1=CC(=C(C=C1)Cl)Cl)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=FSGNOVKGEXRRHD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "plifnt" ;
skos:prefLabel "plifenaat"@nl .
csc:XMTQQYYKAHVGBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3120 ;
dbo:casNumber "330-54-1" , "56449-18-4" , "127641-75-2" , "150825-44-8" , "201749-62-4" , "102962-29-8" ;
dbo:formula "C9H10Cl2N2O" ;
dbo:inchi "InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)" ;
dbo:iupacName "3-(3,4-Dichlorophenyl)-1,1-dimethylurea"@en ;
dbo:pubchem "3120"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=XMTQQYYKAHVGBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:exactMatch wise:CAS_330-54-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Durn" ;
skos:prefLabel "diuron"@nl ;
vcs:vmmParameterId "273"^^xsd:int .
csc:PPKPKFIWDXDAGC-IHWYPQMZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5463459 ;
dbo:casNumber "563-54-2" ;
dbo:formula "C3H4Cl2" ;
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2-" ;
dbo:iupacName "(Z)-1,2-dichloroprop-1-ene"@en ;
dbo:pubchem "5463459"^^xsd:int ;
dbo:smiles "CC(=CCl)Cl" ;
dbp:inchikey "InChIKey=PPKPKFIWDXDAGC-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DClC3e" ;
skos:prefLabel "1,2-dichloorpropeen"@nl .
csc:LLEMOWNGBBNAJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7017 ;
dbo:casNumber "39387-78-5" , "192076-92-9" , "90-43-7" , "61788-42-9" ;
dbo:formula "C12H10O" ;
dbo:inchi "InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H" ;
dbo:iupacName "2-Phenylphenol"@en ;
dbo:pubchem "7017"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2O" ;
dbp:inchikey "InChIKey=LLEMOWNGBBNAJR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FyFol" ;
skos:prefLabel "2-fenylfenol"@nl .
csc:BAVYZALUXZFZLV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6329 ;
dbo:casNumber "42939-70-8" , "85404-17-7" , "119775-09-6" , "74-89-5" ;
dbo:formula "CH5N" ;
dbo:inchi "InChI=1S/CH5N/c1-2/h2H2,1H3" ;
dbo:iupacName "Methanamine"@en ;
dbo:pubchem "6329"^^xsd:int ;
dbo:smiles "CN" ;
dbp:inchikey "InChIKey=BAVYZALUXZFZLV-UHFFFAOYSA-N" ;
skos:altLabel "methylamine "@nl , "methylamine"@nl ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC1yAe" ;
skos:prefLabel "monomethylamine"@nl .
csc:TUBQDCKAWGHZPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:30692 ;
dbo:casNumber "21564-17-0" , "56532-60-6" , "6441-45-8" , "56996-45-3" , "64441-45-8" ;
dbo:formula "C9H6N2S3" ;
dbo:inchi "InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2" ;
dbo:iupacName "2-(thiocyanatomethylsulfanyl)-1,3-benzothiazole"@en ;
dbo:pubchem "30692"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SCSC#N" ;
dbp:inchikey "InChIKey=TUBQDCKAWGHZPF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TCMTB" ;
skos:prefLabel "2-(thiocyanomethylthio)benzothiazool"@nl .
csc:UCRQJBCLZKHOGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98257 ;
dbo:casNumber "13432-25-2" ;
dbo:formula "C8H18O" ;
dbo:inchi "InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3" ;
dbo:iupacName "2,4-Dimethylhexan-3-ol"@en ;
dbo:pubchem "98257"^^xsd:int ;
dbo:smiles "CCC(C)C(C(C)C)O" ;
dbp:inchikey "InChIKey=UCRQJBCLZKHOGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DC1y3C6ol" ;
skos:prefLabel "2,4-dimethyl-3-hexanol"@nl .
csc:KZCBXHSWMMIEQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16493 ;
dbo:casNumber "2136-79-0" ;
dbo:formula "C8H2Cl4O4" ;
dbo:inchi "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)" ;
dbo:iupacName "2,3,5,6-Tetrachloroterephthalic acid"@en ;
dbo:pubchem "16493"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O" ;
dbp:inchikey "InChIKey=KZCBXHSWMMIEQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001108 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cltl" ;
skos:prefLabel "chloorthal"@nl .
csc:CIOAGBVUUVVLOB-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5486204 ;
dbo:casNumber "10098-97-2" ;
dbo:formula "Sr" ;
dbo:inchi "InChI=1S/Sr/i1+2" ;
dbo:iupacName "strontium-90"@en ;
dbo:pubchem "5486204"^^xsd:int ;
dbo:smiles "[Sr]" ;
dbp:inchikey "InChIKey=CIOAGBVUUVVLOB-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sr90" ;
skos:prefLabel "strontium 90"@nl .
csc:DCAYPVUWAIABOU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11006 ;
dbo:casNumber "544-76-3" ;
dbo:formula "C16H34" ;
dbo:inchi "InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3" ;
dbo:iupacName "HEXADECANE"@en ;
dbo:pubchem "11006"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=DCAYPVUWAIABOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC16a" ;
skos:prefLabel "n-hexadecaan"@nl .
csc:NYOXRYYXRWJDKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:440 ;
dbo:casNumber "601-57-0" ;
dbo:formula "C27H44O" ;
dbo:inchi "InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "440"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C" ;
dbp:inchikey "InChIKey=NYOXRYYXRWJDKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chole4e3on" ;
skos:prefLabel "cholest-4-en-3-one"@nl .
csc:OQRMWUNUKVUHQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8596 ;
dbo:casNumber "132-75-2" ;
dbo:formula "C12H9N" ;
dbo:inchi "InChI=1S/C12H9N/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2" ;
dbo:iupacName "2-naphthalen-1-ylacetonitrile"@en ;
dbo:pubchem "8596"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC#N" ;
dbp:inchikey "InChIKey=OQRMWUNUKVUHQO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Nafactntl" ;
skos:prefLabel "1-naftaleenacetonitril"@nl .
csc:NJKDOADNQSYQEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3731 ;
dbo:casNumber "78649-41-9" ;
dbo:formula "C17H22I3N3O8" ;
dbo:inchi "InChI=1S/C17H22I3N3O8/c1-23(9(29)6-26)15-13(19)10(16(30)21-2-7(27)4-24)12(18)11(14(15)20)17(31)22-3-8(28)5-25/h7-8,24-28H,2-6H2,1H3,(H,21,30)(H,22,31)" ;
dbo:iupacName "N,N'-bis(2,3-dihydroxypropyl)-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3731"^^xsd:int ;
dbo:smiles "CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO" ;
dbp:inchikey "InChIKey=NJKDOADNQSYQEV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jompl" ;
skos:prefLabel "jomeprol"@nl .
csc:PCFUWBOSXMKGIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7581 ;
dbo:casNumber "101-82-6" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2" ;
dbo:iupacName "2-(Phenylmethyl)pyridine"@en ;
dbo:pubchem "7581"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=N2" ;
dbp:inchikey "InChIKey=PCFUWBOSXMKGIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2benzprdne" ;
skos:prefLabel "2-benzylpyridine"@nl .
csc:RHSUJRQZTQNSLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27975 ;
dbo:casNumber "16655-82-6" ;
dbo:formula "C12H15NO4" ;
dbo:inchi "InChI=1S/C12H15NO4/c1-12(2)10(14)7-5-4-6-8(9(7)17-12)16-11(15)13-3/h4-6,10,14H,1-3H3,(H,13,15)" ;
dbo:iupacName "(3-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate"@en ;
dbo:pubchem "27975"^^xsd:int ;
dbo:smiles "CC1(C(C2=C(O1)C(=CC=C2)OC(=O)NC)O)C" ;
dbp:inchikey "InChIKey=RHSUJRQZTQNSLL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxcbfrn" ;
skos:prefLabel "3-hydroxycarbofuran"@nl .
csc:OGJPXUAPXNRGGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4539 ;
dbo:casNumber "70458-96-7" ;
dbo:formula "C16H18FN3O3" ;
dbo:inchi "InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)" ;
dbo:iupacName "1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"@en ;
dbo:pubchem "4539"^^xsd:int ;
dbo:smiles "CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O" ;
dbp:inchikey "InChIKey=OGJPXUAPXNRGGI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfxcne" ;
skos:prefLabel "norfloxacine"@nl .
csc:FSGTULQLEVAYRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:81149 ;
dbo:casNumber "6641-64-1" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2" ;
dbo:iupacName "4,5-Dichloro-2-nitroaniline"@en ;
dbo:pubchem "81149"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=FSGTULQLEVAYRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2NO2An" ;
skos:prefLabel "4,5-dichloor-2-nitroaniline"@nl .
csc:PWKSKIMOESPYIA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:581 ;
dbo:casNumber "616-91-1" ;
dbo:formula "C5H9NO3S" ;
dbo:inchi "InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)" ;
dbo:iupacName "2-acetamido-3-sulfanylpropanoic acid"@en ;
dbo:pubchem "581"^^xsd:int ;
dbo:smiles "CC(=O)NC(CS)C(=O)O" ;
dbp:inchikey "InChIKey=PWKSKIMOESPYIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002402 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actctne" ;
skos:prefLabel "acetylcysteine"@nl .
csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6115 ;
dbo:casNumber "53894-37-4" , "17843-02-6" , "146997-94-6" , "37342-16-8" , "62-53-3" ;
dbo:formula "C6H7N" ;
dbo:inchi "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2" ;
dbo:iupacName "Aniline"@en ;
dbo:pubchem "6115"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=PAYRUJLWNCNPSJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_62-53-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "An" ;
skos:prefLabel "aniline"@nl ;
vcs:vmmParameterId "849"^^xsd:int .
csc:UXTIAFYTYOEQHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30113 ;
dbo:casNumber "20325-40-0" , "111984-09-9" ;
dbo:formula "C14H18Cl2N2O2" ;
dbo:inchi "InChI=1S/C14H16N2O2.2ClH/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2;;/h3-8H,15-16H2,1-2H3;2*1H" ;
dbo:iupacName "4-(4-amino-3-methoxyphenyl)-2-methoxyaniline dihydrochloride"@en ;
dbo:pubchem "30113"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[NH3+])OC)[NH3+].[Cl-].[Cl-]" ;
dbp:inchikey "InChIKey=UXTIAFYTYOEQHV-UHFFFAOYSA-N" ;
skos:altLabel "3,3'-dimethoxybenzidinehydrochloride"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1oxbzdnH" , "33DC1oxbzdnD" ;
skos:prefLabel "3,3'-dimethoxybenzidine dihydrochloride"@nl .
csc:REZZEXDLIUJMMS-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7879 ;
dbo:casNumber "59111-82-9" , "66359-86-2" , "134191-39-2" , "129119-79-5" , "107-64-2" , "12677-13-3" , "14357-21-2" , "76723-98-3" ;
dbo:formula "C38H80ClN" ;
dbo:inchi "InChI=1S/C38H80N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-38H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dimethyl-dioctadecylazanium chloride"@en ;
dbo:pubchem "7879"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Cl-]" ;
dbp:inchikey "InChIKey=REZZEXDLIUJMMS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DODAC" ;
skos:prefLabel "dimethyldioctadecylammoniumchloride"@nl .
csc:HGCIXCUEYOPUTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8079 ;
dbo:casNumber "110-83-8" , "33004-06-7" , "7493-04-1" , "15650-80-3" ;
dbo:formula "C6H10" ;
dbo:inchi "InChI=1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2" ;
dbo:iupacName "Cyclohexene"@en ;
dbo:pubchem "8079"^^xsd:int ;
dbo:smiles "C1CCC=CC1" ;
dbp:inchikey "InChIKey=HGCIXCUEYOPUTN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC6e" ;
skos:prefLabel "cyclohexeen"@nl .
csc:WQRCEBAZAUAUQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3034351 ;
dbo:casNumber "25059-80-7" ;
dbo:formula "C11H10ClNO3S" ;
dbo:inchi "InChI=1S/C11H10ClNO3S/c1-2-16-9(14)6-13-10-7(12)4-3-5-8(10)17-11(13)15/h3-5H,2,6H2,1H3" ;
dbo:iupacName "ethyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate"@en ;
dbo:pubchem "3034351"^^xsd:int ;
dbo:smiles "CCOC(=O)CN1C2=C(C=CC=C2Cl)SC1=O" ;
dbp:inchikey "InChIKey=WQRCEBAZAUAUQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzlnC2y" ;
skos:prefLabel "benazolin-ethyl"@nl .
csc:JCRIDWXIBSEOEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11312 ;
dbo:casNumber "573-56-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H" ;
dbo:iupacName "2,6-Dinitrophenol"@en ;
dbo:pubchem "11312"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=JCRIDWXIBSEOEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DNO2Fol" ;
skos:prefLabel "2,6-dinitrofenol"@nl .
csc:MXHTZQSKTCCMFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24321 ;
dbo:casNumber "620-40-6" ;
dbo:formula "C21H21N" ;
dbo:inchi "InChI=1S/C21H21N/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2" ;
dbo:iupacName "1-phenyl-N,N-bis(phenylmethyl)methanamine"@en ;
dbo:pubchem "24321"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=MXHTZQSKTCCMFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TbenzAe" ;
skos:prefLabel "tribenzylamine"@nl .
csc:XFWOTCACTPMVSB-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74764357 ;
dbo:casNumber "144550-36-7" ;
dbo:formula "C14H13IN5NaO6S" ;
dbo:inchi "InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22,23,24);/q;+1/p-1" ;
dbo:iupacName "['sodium (Z)-(5-iodo-2-methoxycarbonylphenyl)sulfonylimino-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]methanolate', 'sodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide']"@en ;
dbo:pubchem "74764357"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)N=S(=O)(C2=C(C=CC(=C2)I)C(=O)OC)[O-].[Na+]" ;
dbp:inchikey "InChIKey=XFWOTCACTPMVSB-UHFFFAOYSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "IsfrnC1yNa" ;
skos:prefLabel "jodosulfuron-methyl-natrium"@nl .
csc:JMYWPEQXUQGQNF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:87012 ;
dbo:casNumber "17233-71-5" ;
dbo:formula "CH2S6" ;
dbo:inchi "InChI=1S/CH2S6/c1-2-4-6-7-5-3-1/h1H2" ;
dbo:iupacName "Hexathiepane"@en ;
dbo:pubchem "87012"^^xsd:int ;
dbo:smiles "C1SSSSSS1" ;
dbp:inchikey "InChIKey=JMYWPEQXUQGQNF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000002 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123456Hxtpne" ;
skos:prefLabel "1,2,3,4,5,6-hexathiepane"@nl .
csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:31256 ;
dbo:casNumber "123-42-2" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3" ;
dbo:iupacName "4-Hydroxy-4-methylpentan-2-one"@en ;
dbo:pubchem "31256"^^xsd:int ;
dbo:smiles "CC(=O)CC(C)(C)O" ;
dbp:inchikey "InChIKey=SWXVUIWOUIDPGS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002913 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Hox4C1y2C5o" ;
skos:prefLabel "4-hydroxy-4-methyl-2-pentanon"@nl .
csc:YXEOEPYIBGTLML-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17077 ;
dbo:casNumber "2432-12-4" ;
dbo:formula "C7H6Cl2O" ;
dbo:inchi "InChI=1S/C7H6Cl2O/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3" ;
dbo:iupacName "2,6-Dichloro-4-methylphenol"@en ;
dbo:pubchem "17077"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)Cl)O)Cl" ;
dbp:inchikey "InChIKey=YXEOEPYIBGTLML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DCl4C1yFol" ;
skos:prefLabel "2,6-dichloor-4-methylfenol"@nl .
csc:XLNZEKHULJKQBA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25670 ;
dbo:casNumber "13071-79-9" ;
dbo:formula "C9H21O2PS3" ;
dbo:inchi "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3" ;
dbo:iupacName "tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "25670"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC(C)(C)C" ;
dbp:inchikey "InChIKey=XLNZEKHULJKQBA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_13071-79-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbfs" ;
skos:prefLabel "terbufos"@nl ;
vcs:vmmParameterId "806"^^xsd:int .
csc:VYNGFCUGSYEOOZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19758 ;
dbo:casNumber "3878-45-3" ;
dbo:formula "C18H15PS" ;
dbo:inchi "InChI=1S/C18H15PS/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "tri(phenyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "19758"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=VYNGFCUGSYEOOZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFyffnS" ;
skos:prefLabel "trifenylfosfinesulfide"@nl .
csc:NUMQCACRALPSHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12512 ;
dbo:casNumber "637-92-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5-7-6(2,3)4/h5H2,1-4H3" ;
dbo:iupacName "2-Ethoxy-2-methylpropane"@en ;
dbo:pubchem "12512"^^xsd:int ;
dbo:smiles "CCOC(C)(C)C" ;
dbp:inchikey "InChIKey=NUMQCACRALPSHD-UHFFFAOYSA-N" ;
skos:altLabel "ethyl-tert-butylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2ox2C1yC3a" ;
skos:prefLabel "2-ethoxy-2-methylpropaan"@nl .
csc:RVULBHWZFCBODE-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:44072 ;
dbo:casNumber "94128-03-7" , "63748-59-4" , "62476-59-9" ;
dbo:formula "C14H6ClF3NNaO5" ;
dbo:inchi "InChI=1S/C14H7ClF3NO5.Na/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21;/h1-6H,(H,20,21);/q;+1/p-1" ;
dbo:iupacName "sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en ;
dbo:pubchem "44072"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=RVULBHWZFCBODE-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acFfNazt" ;
skos:prefLabel "acifluorfen-natriumzout"@nl .
csc:XLJMAIOERFSOGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:540 ;
dbo:casNumber "420-05-3" ;
dbo:formula "CHNO" ;
dbo:inchi "InChI=1S/CHNO/c2-1-3/h3H" ;
dbo:iupacName "Cyanic acid"@en ;
dbo:pubchem "540"^^xsd:int ;
dbo:smiles "C(#N)O" ;
dbp:inchikey "InChIKey=XLJMAIOERFSOGZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000363 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Czr" ;
skos:prefLabel "cyaanzuur"@nl .
csc:ZMHZSHHZIKJFIR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5484215 ;
dbo:casNumber "15231-57-9" ;
dbo:formula "C8H17Sn" ;
dbo:inchi "InChI=1S/C8H17.Sn/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;" ;
dbo:iupacName "Octyl tin"@en ;
dbo:pubchem "5484215"^^xsd:int ;
dbo:smiles "CCCCCCCC[Sn]" ;
dbp:inchikey "InChIKey=ZMHZSHHZIKJFIR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001523 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monooctyltin"@nl .
csc:GWLKCPXYBLCEKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:34702 ;
dbo:casNumber "32768-54-0" ;
dbo:formula "C7H6Cl2" ;
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3" ;
dbo:iupacName "1,2-dichloro-3-methylbenzene"@en ;
dbo:pubchem "34702"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=GWLKCPXYBLCEKC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClTol" ;
skos:prefLabel "2,3-dichloortolueen"@nl .
csc:HCYGJXYCUXDCHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:294709 ;
dbo:casNumber "55282-17-2" ;
dbo:formula "C26H54" ;
dbo:inchi "InChI=1S/C26H54/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(5-2)6-3/h26H,4-25H2,1-3H3" ;
dbo:iupacName "3-Ethyltetracosane"@en ;
dbo:pubchem "294709"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCC(CC)CC" ;
dbp:inchikey "InChIKey=HCYGJXYCUXDCHD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2yC24a" ;
skos:prefLabel "3-ethyltetracosaan"@nl .
csc:RIWRBSMFKVOJMN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7531 ;
dbo:casNumber "100-86-7" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3" ;
dbo:iupacName "2-Methyl-1-phenylpropan-2-ol"@en ;
dbo:pubchem "7531"^^xsd:int ;
dbo:smiles "CC(C)(CC1=CC=CC=C1)O" ;
dbp:inchikey "InChIKey=RIWRBSMFKVOJMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y1Fy2C3ol" ;
skos:prefLabel "2-methyl-1-fenyl-2-propanol"@nl .
csc:DNWJJJOJBSVOEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17183 ;
dbo:casNumber "2471-83-2" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-2-9-7-8-10-5-3-4-6-11(9)10/h2-9H,1H2" ;
dbo:iupacName "1-ETHENYL-1H-INDENE"@en ;
dbo:pubchem "17183"^^xsd:int ;
dbo:smiles "C=CC1C=CC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=DNWJJJOJBSVOEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000021 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yididn" ;
skos:prefLabel "1-ethylideenindeen"@nl .
csc:FZSVSABTBYGOQH-XFFZJAGNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5364932 ;
dbo:casNumber "39196-18-4" ;
dbo:formula "C9H18N2O2S" ;
dbo:inchi "InChI=1S/C9H18N2O2S/c1-9(2,3)7(6-14-5)11-13-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7-" ;
dbo:iupacName "[(E)-(3,3-dimethyl-1-methylsulfanylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5364932"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CSC" ;
dbp:inchikey "InChIKey=FZSVSABTBYGOQH-XFFZJAGNSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnx" ;
skos:prefLabel "thiofanox"@nl .
csc:JBCUKQQIWSWEOK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77956 ;
dbo:casNumber "4273-98-7" ;
dbo:formula "C12H11NO2S" ;
dbo:inchi "InChI=1S/C12H11NO2S/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,13H2" ;
dbo:iupacName "2-phenylsulfonylaniline"@en ;
dbo:pubchem "77956"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N" ;
dbp:inchikey "InChIKey=JBCUKQQIWSWEOK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2FysfnAn" ;
skos:prefLabel "2-(fenylsulfonyl)aniline"@nl .
csc:SPANOECCGNXGNR-UITAMQMPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5284376 ;
dbo:casNumber "17708-57-5" , "2303-16-4" ;
dbo:formula "C10H17Cl2NOS" ;
dbo:inchi "InChI=1S/C10H17Cl2NOS/c1-7(2)13(8(3)4)10(14)15-6-9(12)5-11/h5,7-8H,6H2,1-4H3/b9-5-" ;
dbo:iupacName "['S-[(Z)-2,3-dichloroprop-2-enyl] (di(propan-2-yl)amino)methanethioate', 'S-(2,3-dichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate']"@en ;
dbo:pubchem "5284376"^^xsd:int ;
dbo:smiles "CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl" ;
dbp:inchikey "InChIKey=SPANOECCGNXGNR-UITAMQMPSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dalt" ;
skos:prefLabel "diallaat"@nl .
csc:BZFBDUQOBQHBSZ-BJRTZXQSSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14729 ;
dbo:casNumber "1249-84-9" ;
dbo:formula "C25H46Cl2N2O" ;
dbo:inchi "InChI=1S/C25H44N2O.2ClH/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4;;/h7,19-23,28H,6,8-17H2,1-5H3;2*1H/t19-,20?,21-,22-,23-,24?,25?;;/m0../s1" ;
dbo:iupacName "(3S,9S,14S,17S)-17-(3-dimethylaminopropyl-methylamino)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol dihydrochloride"@en ;
dbo:pubchem "14729"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2N(C)CCCN(C)C)CC=C4C3(CCC(C4)O)C.Cl.Cl" ;
dbp:inchikey "InChIKey=BZFBDUQOBQHBSZ-BJRTZXQSSA-N" ;
skos:broader csc:CHEMONTID_0003053 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DazclsrDHCl" ;
skos:prefLabel "diazacholesterol-dihydrochloride"@nl .
csc:KDLRVYVGXIQJDK-NOWPCOIGSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29029 ;
dbo:casNumber "24620-78-8" , "16669-21-9" , "18323-44-9" , "13441-63-9" , "24696-19-3" ;
dbo:formula "C18H33ClN2O5S" ;
dbo:inchi "InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1" ;
dbo:iupacName "(2S,4R)-N-[2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide"@en ;
dbo:pubchem "29029"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl" ;
dbp:inchikey "InChIKey=KDLRVYVGXIQJDK-NOWPCOIGSA-N" ;
skos:broader csc:CHEMONTID_0004322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clindmcne" ;
skos:prefLabel "clindamycine"@nl .
csc:MHKBMNACOMRIAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6191 ;
dbo:casNumber "66-56-8" ;
dbo:formula "C6H4N2O5" ;
dbo:inchi "InChI=1S/C6H4N2O5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H" ;
dbo:iupacName "2,3-DINITROPHENOL"@en ;
dbo:pubchem "6191"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)O)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=MHKBMNACOMRIAW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DNO2Fol" ;
skos:prefLabel "2,3-dinitrofenol"@nl .
csc:GWYFCOCPABKNJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10430 ;
dbo:casNumber "503-74-2" , "92634-50-9" , "35915-22-1" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)" ;
dbo:iupacName "3-Methylbutanoic acid"@en ;
dbo:pubchem "10430"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)O" ;
dbp:inchikey "InChIKey=GWYFCOCPABKNJV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ivlrazr" ;
skos:prefLabel "iso-valeriaanzuur"@nl .
csc:GJRQTCIYDGXPES-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8038 ;
dbo:casNumber "110-19-0" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3" ;
dbo:iupacName "2-Methylpropyl acetate"@en ;
dbo:pubchem "8038"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C" ;
dbp:inchikey "InChIKey=GJRQTCIYDGXPES-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yactt" ;
skos:prefLabel "iso-butylacetaat"@nl .
csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62883 ;
dbo:casNumber "26787-78-0" , "61336-70-7" ;
dbo:formula "C16H25N3O8S" ;
dbo:inchi "InChI=1S/C16H19N3O5S.3H2O/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7;;;/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24);3*1H2/t9-,10-,11+,14-;;;/m1.../s1" ;
dbo:iupacName "(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid trihydrate"@en ;
dbo:pubchem "62883"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)C(=O)O)C.O.O.O" ;
dbp:inchikey "InChIKey=MQXQVCLAUDMCEF-CWLIKTDRSA-N" ;
skos:broader csc:CHEMONTID_0000174 ;
skos:exactMatch wise:CAS_26787-78-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amxclne" ;
skos:prefLabel "amoxicilline"@nl ;
vcs:vmmParameterId "1855"^^xsd:int .
csc:QUKOJKFJIHSBKV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92723 ;
dbo:casNumber "7154-79-2" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3" ;
dbo:iupacName "2,2,3,3-Tetramethylpentane"@en ;
dbo:pubchem "92723"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(C)(C)C" ;
dbp:inchikey "InChIKey=QUKOJKFJIHSBKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2233T4C1yC5a" ;
skos:prefLabel "2,2,3,3-tetramethylpentaan"@nl .
csc:PFURGBBHAOXLIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13601 ;
dbo:casNumber "1792-81-0" , "54383-22-1" , "931-17-9" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2" ;
dbo:iupacName "Cyclohexane-1,2-diol"@en ;
dbo:pubchem "13601"^^xsd:int ;
dbo:smiles "C1CCC(C(C1)O)O" ;
dbp:inchikey "InChIKey=PFURGBBHAOXLIO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002647 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12ccC6aDol" ;
skos:prefLabel "1,2-cyclohexaandiol"@nl .
csc:TXCDCPKCNAJMEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:568 ;
dbo:casNumber "132-64-9" , "214827-48-2" ;
dbo:formula "C12H8O" ;
dbo:inchi "InChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H" ;
dbo:iupacName "dibenzofuran"@en ;
dbo:pubchem "568"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3O2" ;
dbp:inchikey "InChIKey=TXCDCPKCNAJMEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000015 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbzfrn" ;
skos:prefLabel "dibenzofuran"@nl .
csc:HAORKNGNJCEJBX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86367 ;
dbo:casNumber "121552-61-2" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)" ;
dbo:iupacName "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine"@en ;
dbo:pubchem "86367"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3" ;
dbp:inchikey "InChIKey=HAORKNGNJCEJBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_121552-61-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cypdnl" ;
skos:prefLabel "cyprodinil"@nl ;
vcs:vmmParameterId "1017"^^xsd:int .
csc:VYPSYNLAJGMNEJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24261 ;
dbo:casNumber "15468-32-3" , "70594-95-5" , "17679-64-0" , "105269-70-3" , "14464-46-1" , "1317-94-8" , "12425-26-2" , "122304-49-8" , "1317-79-9" , "15723-40-7" , "14808-60-7" , "112945-52-5" , "67256-35-3" , "92283-58-4" , "99439-28-8" , "98253-25-9" , "1317-48-2" , "7631-86-9" , "122304-48-7" , "87347-84-0" , "50926-93-7" , "12414-70-9" ;
dbo:formula "O2Si" ;
dbo:inchi "InChI=1S/O2Si/c1-3-2" ;
dbo:iupacName "Dioxosilane"@en ;
dbo:pubchem "24261"^^xsd:int ;
dbo:smiles "O=[Si]=O" ;
dbp:inchikey "InChIKey=VYPSYNLAJGMNEJ-UHFFFAOYSA-N" ;
skos:altLabel "silicaat, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000534 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SiO2" ;
skos:prefLabel "siliciumdioxide"@nl .
csc:BAZVSMNPJJMILC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41368 ;
dbo:casNumber "55219-65-3" ;
dbo:formula "C14H18ClN3O2" ;
dbo:inchi "InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3" ;
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "41368"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=BAZVSMNPJJMILC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tadmnl" ;
skos:prefLabel "triadimenol"@nl .
csc:CBFCDTFDPHXCNY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8222 ;
dbo:casNumber "112-95-8" ;
dbo:formula "C20H42" ;
dbo:inchi "InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3" ;
dbo:iupacName "Icosane"@en ;
dbo:pubchem "8222"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=CBFCDTFDPHXCNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20a" ;
skos:prefLabel "eicosaan"@nl .
csc:PSPNTGGVAYLSJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20511 ;
dbo:casNumber "4443-55-4" ;
dbo:formula "C26H52" ;
dbo:inchi "InChI=1S/C26H52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h26H,2-25H2,1H3" ;
dbo:iupacName "icosylcyclohexane"@en ;
dbo:pubchem "20511"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC1CCCCC1" ;
dbp:inchikey "InChIKey=PSPNTGGVAYLSJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C20yccC6a" ;
skos:prefLabel "eicosylcyclohexaan"@nl .
csc:SSBRSHIQIANGKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:159909 ;
dbo:casNumber "21351-39-3" ;
dbo:formula "CH6N2O5S" ;
dbo:inchi "InChI=1S/CH4N2O.H2O4S/c2-1(3)4;1-5(2,3)4/h(H4,2,3,4);(H2,1,2,3,4)" ;
dbo:iupacName "sulfuric acid; urea"@en ;
dbo:pubchem "159909"^^xsd:int ;
dbo:smiles "C(=O)(N)N.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=SSBRSHIQIANGKS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001180 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCDS" ;
skos:prefLabel "monocarbamidedihydrogensulfaat"@nl .
csc:PFEFOYRSMXVNEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12902 ;
dbo:casNumber "50356-20-2" , "19879-87-9" , "53320-88-0" , "1333-60-4" , "732-26-3" , "11100-56-4" ;
dbo:formula "C18H30O" ;
dbo:inchi "InChI=1S/C18H30O/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11,19H,1-9H3" ;
dbo:iupacName "2,4,6-tritert-butylphenol"@en ;
dbo:pubchem "12902"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=PFEFOYRSMXVNEL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TttC4yFol" ;
skos:prefLabel "2,4,6-tri-tert-butylfenol"@nl .
csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13652 ;
dbo:casNumber "939-27-5" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3" ;
dbo:iupacName "2-Ethylnaphthalene"@en ;
dbo:pubchem "13652"^^xsd:int ;
dbo:smiles "CCC1=CC2=CC=CC=C2C=C1" ;
dbp:inchikey "InChIKey=RJTJVVYSTUQWNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yNaf" ;
skos:prefLabel "2-ethylnaftaleen"@nl .
csc:FINOAUDUYKVGDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62334 ;
dbo:casNumber "88-41-5" ;
dbo:formula "C12H22O2" ;
dbo:inchi "InChI=1S/C12H22O2/c1-9(13)14-11-8-6-5-7-10(11)12(2,3)4/h10-11H,5-8H2,1-4H3" ;
dbo:iupacName "(2-tert-butylcyclohexyl) acetate"@en ;
dbo:pubchem "62334"^^xsd:int ;
dbo:smiles "CC(=O)OC1CCCCC1C(C)(C)C" ;
dbp:inchikey "InChIKey=FINOAUDUYKVGDS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verdx" ;
skos:prefLabel "verdox"@nl .
csc:VJJPUSNTGOMMGY-MRVIYFEKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:36462 ;
dbo:casNumber "136598-18-0" , "201594-04-9" , "51854-34-3" , "33419-42-0" , "76576-58-4" , "35317-32-9" , "121471-01-0" ;
dbo:formula "C29H32O13" ;
dbo:inchi "InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1" ;
dbo:iupacName "(5S,5aR,8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one"@en ;
dbo:pubchem "36462"^^xsd:int ;
dbo:smiles "CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O" ;
dbp:inchikey "InChIKey=VJJPUSNTGOMMGY-MRVIYFEKSA-N" ;
skos:broader csc:CHEMONTID_0000047 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etpsde" ;
skos:prefLabel "etoposide"@nl .
csc:CIEXPHRYOLIQQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:42504 ;
dbo:casNumber "57646-30-7" , "66063-54-5" ;
dbo:formula "C17H19NO4" ;
dbo:inchi "InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(furan-2-carbonyl)amino]propanoate"@en ;
dbo:pubchem "42504"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2" ;
dbp:inchikey "InChIKey=CIEXPHRYOLIQQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004756 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "furlxl" ;
skos:prefLabel "furalaxyl"@nl .
csc:NVKAWKQGWWIWPM-ABEVXSGRSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10635 ;
dbo:casNumber "521-18-6" , "12040-51-6" , "28801-96-9" ;
dbo:formula "C19H30O2" ;
dbo:inchi "InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1" ;
dbo:iupacName "(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "10635"^^xsd:int ;
dbo:smiles "CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C" ;
dbp:inchikey "InChIKey=NVKAWKQGWWIWPM-ABEVXSGRSA-N" ;
skos:broader csc:CHEMONTID_0001467 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DHT" ;
skos:prefLabel "dihydrotestosterone"@nl .
csc:GWXLDORMOJMVQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23974 ;
dbo:casNumber "7440-45-1" , "196959-41-8" , "110123-49-4" ;
dbo:formula "Ce" ;
dbo:inchi "InChI=1S/Ce" ;
dbo:iupacName "CERIUM"@en ;
dbo:pubchem "23974"^^xsd:int ;
dbo:smiles "[Ce]" ;
dbp:inchikey "InChIKey=GWXLDORMOJMVQZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_B_002 ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ce" ;
skos:prefLabel "cerium"@nl .
csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62478 ;
dbo:casNumber "3064-70-8" ;
dbo:formula "C2Cl6O2S" ;
dbo:inchi "InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8" ;
dbo:iupacName "trichloro-(trichloromethylsulfonyl)methane"@en ;
dbo:pubchem "62478"^^xsd:int ;
dbo:smiles "C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=YBNLWIZAWPBUKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisTClC1ysfn" ;
skos:prefLabel "bis(trichloormethyl)sulfon"@nl .
csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2728 ;
dbo:casNumber "11097-02-2" , "101-21-3" ;
dbo:formula "C10H12ClNO2" ;
dbo:inchi "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)" ;
dbo:iupacName "propan-2-yl N-(3-chlorophenyl)carbamate"@en ;
dbo:pubchem "2728"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)NC1=CC(=CC=C1)Cl" ;
dbp:inchikey "InChIKey=CWJSHJJYOPWUGX-UHFFFAOYSA-N" ;
skos:altLabel "chlorpropham"@nl ;
skos:broader csc:CHEMONTID_0004714 ;
skos:exactMatch wise:CAS_101-21-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpfm" ;
skos:prefLabel "chloorprofam"@nl ;
vcs:vmmParameterId "483"^^xsd:int .
csc:XWSLYQXUTWUIKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9038 ;
dbo:casNumber "152-18-1" ;
dbo:formula "C3H9O3PS" ;
dbo:inchi "InChI=1S/C3H9O3PS/c1-4-7(8,5-2)6-3/h1-3H3" ;
dbo:iupacName "trimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "9038"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=XWSLYQXUTWUIKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1ytoPO4" ;
skos:prefLabel "trimethylthiofosfaat"@nl .
csc:GTRSAMFYSUBAGN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22522 ;
dbo:casNumber "6145-73-9" , "101551-02-4" ;
dbo:formula "C9H18Cl3O4P" ;
dbo:inchi "InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "Tris(2-chloropropyl) phosphate"@en ;
dbo:pubchem "22522"^^xsd:int ;
dbo:smiles "CC(COP(=O)(OCC(C)Cl)OCC(C)Cl)Cl" ;
dbp:inchikey "InChIKey=GTRSAMFYSUBAGN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3ol2ClPO4" ;
skos:prefLabel "1-propanol-2-chloorfosfaat"@nl .
csc:IDGBOLGHJQQORA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62318 ;
dbo:casNumber "136013-79-1" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(7,8)1(6)3(5,9)10/h1H" ;
dbo:iupacName "1,3-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62318"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(C(F)(F)Cl)F" ;
dbp:inchikey "InChIKey=IDGBOLGHJQQORA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225ea" ;
skos:prefLabel "1,3-dichloor-1,1,2,3,3-pentafluorpropaan"@nl .
csc:FRIJWEQBTIZQMD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9150 ;
dbo:casNumber "205-12-9" , "61089-87-0" , "30777-20-9" ;
dbo:formula "C17H12" ;
dbo:inchi "InChI=1S/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2" ;
dbo:iupacName "7H-Benzo[c]fluorene"@en ;
dbo:pubchem "9150"^^xsd:int ;
dbo:smiles "C1C2=C(C3=CC=CC=C31)C4=CC=CC=C4C=C2" ;
dbp:inchikey "InChIKey=FRIJWEQBTIZQMD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BcFle" ;
skos:prefLabel "benzo(c)fluoreen"@nl .
csc:AFZZYIJIWUTJFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8864 ;
dbo:casNumber "141-93-5" , "68584-01-0" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "1,3-Diethylbenzene"@en ;
dbo:pubchem "8864"^^xsd:int ;
dbo:smiles "CCC1=CC(=CC=C1)CC" ;
dbp:inchikey "InChIKey=AFZZYIJIWUTJFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC2yBen" ;
skos:prefLabel "1,3-diethylbenzeen"@nl .
csc:YXTRCOAFNXQTKL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11839 ;
dbo:casNumber "607-99-8" ;
dbo:formula "C7H5Br3O" ;
dbo:inchi "InChI=1S/C7H5Br3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3" ;
dbo:iupacName "1,3,5-tribromo-2-methoxybenzene"@en ;
dbo:pubchem "11839"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1Br)Br)Br" ;
dbp:inchikey "InChIKey=YXTRCOAFNXQTKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TBransl" ;
skos:prefLabel "2,4,6-tribroomanisol"@nl .
csc:VLYWMPOKSSWJAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5330 ;
dbo:casNumber "80-35-3" ;
dbo:formula "C11H12N4O3S" ;
dbo:inchi "InChI=1S/C11H12N4O3S/c1-18-11-7-6-10(13-14-11)15-19(16,17)9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,13,15)" ;
dbo:iupacName "4-amino-N-(6-methoxypyridazin-3-yl)benzenesulfonamide"@en ;
dbo:pubchem "5330"^^xsd:int ;
dbo:smiles "COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=VLYWMPOKSSWJAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001925 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sulfamethoxypyridazine"@nl .
csc:SPOWAUDUGZVURQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91671 ;
dbo:casNumber "59229-75-3" ;
dbo:formula "C7H9N3O2" ;
dbo:inchi "InChI=1S/C7H9N3O2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,8-9H2,1H3" ;
dbo:iupacName "2-methyl-5-nitrobenzene-1,3-diamine"@en ;
dbo:pubchem "91671"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1N)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=SPOWAUDUGZVURQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DAo4NO2Tol" ;
skos:prefLabel "2,6-diamino-4-nitrotolueen"@nl .
csc:YCIMNLLNPGFGHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:289 ;
dbo:casNumber "16474-90-1" , "120-80-9" , "37349-32-9" , "12385-08-9" , "16474-89-8" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H" ;
dbo:iupacName "benzene-1,2-diol"@en ;
dbo:pubchem "289"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)O)O" ;
dbp:inchikey "InChIKey=YCIMNLLNPGFGHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000135 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DHOxBen" ;
skos:prefLabel "1,2-dihydroxybenzeen"@nl .
csc:FXHGMKSSBGDXIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8130 ;
dbo:casNumber "111-71-7" ;
dbo:formula "C7H14O" ;
dbo:inchi "InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3" ;
dbo:iupacName "Heptanal"@en ;
dbo:pubchem "8130"^^xsd:int ;
dbo:smiles "CCCCCCC=O" ;
dbp:inchikey "InChIKey=FXHGMKSSBGDXIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002229 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C7al" ;
skos:prefLabel "1-heptanal"@nl .
csc:CRHGSCXKJPJNAB-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:60267 ;
dbo:casNumber "108731-70-0" , "72178-02-0" ;
dbo:formula "C15H9ClF3N2NaO6S" ;
dbo:inchi "InChI=1S/C15H10ClF3N2O6S.Na/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19;/h2-7H,1H3,(H,20,22);/q;+1/p-1" ;
dbo:iupacName "sodium 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-methylsulfonyl-2-nitrobenzenecarboximidate"@en ;
dbo:pubchem "60267"^^xsd:int ;
dbo:smiles "CS(=O)(=O)N=C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])[O-].[Na+]" ;
dbp:inchikey "InChIKey=CRHGSCXKJPJNAB-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fomsfn" ;
skos:prefLabel "fomesafen"@nl .
csc:HCDGVLDPFQMKDK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8302 ;
dbo:casNumber "116-15-4" ;
dbo:formula "C3F6" ;
dbo:inchi "InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9" ;
dbo:iupacName "1,1,2,3,3,3-hexafluoroprop-1-ene"@en ;
dbo:pubchem "8302"^^xsd:int ;
dbo:smiles "C(=C(F)F)(C(F)(F)F)F" ;
dbp:inchikey "InChIKey=HCDGVLDPFQMKDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002861 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HFC3ye" ;
skos:prefLabel "hexafluorpropyleen"@nl .
csc:DMBHHRLKUKUOEG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11487 ;
dbo:casNumber "86352-05-8" , "122-39-4" ;
dbo:formula "C12H11N" ;
dbo:inchi "InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H" ;
dbo:iupacName "N-Phenylaniline"@en ;
dbo:pubchem "11487"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DMBHHRLKUKUOEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DFyAe" ;
skos:prefLabel "difenylamine"@nl .
csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II Art. 5.4.3.1.4"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6278 ;
dbo:casNumber "74552-83-3" , "71-55-6" ;
dbo:formula "C2H3Cl3" ;
dbo:inchi "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3" ;
dbo:iupacName "1,1,1-Trichloroethane"@en ;
dbo:pubchem "6278"^^xsd:int ;
dbo:smiles "CC(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=UOCLXMDMGBRAIB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_002 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_71-55-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "111TClC2a" ;
skos:prefLabel "1,1,1-trichloorethaan"@nl ;
vcs:vmmParameterId "891"^^xsd:int , "308"^^xsd:int .
csc:VHHHONWQHHHLTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6214 ;
dbo:casNumber "67-72-1" ;
dbo:formula "C2Cl6" ;
dbo:inchi "InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8" ;
dbo:iupacName "1,1,1,2,2,2-Hexachloroethane"@en ;
dbo:pubchem "6214"^^xsd:int ;
dbo:smiles "C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=VHHHONWQHHHLTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_67-72-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxClC2a" ;
skos:prefLabel "hexachloorethaan"@nl ;
vcs:vmmParameterId "381"^^xsd:int .
csc:WBEJYOJJBDISQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7280 ;
dbo:casNumber "105567-86-0" , "96-12-8" , "67708-83-2" ;
dbo:formula "C3H5Br2Cl" ;
dbo:inchi "InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2" ;
dbo:iupacName "1,2-Dibromo-3-chloropropane"@en ;
dbo:pubchem "7280"^^xsd:int ;
dbo:smiles "C(C(CBr)Br)Cl" ;
dbp:inchikey "InChIKey=WBEJYOJJBDISQU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_96-12-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DBr3ClC3a" ;
skos:prefLabel "1,2-dibroom-3-chloorpropaan"@nl ;
vcs:vmmParameterId "374"^^xsd:int .
csc:QXKPLNCZSFACPU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7138 ;
dbo:casNumber "93-37-8" ;
dbo:formula "C11H11N" ;
dbo:inchi "InChI=1S/C11H11N/c1-8-3-5-10-6-4-9(2)12-11(10)7-8/h3-7H,1-2H3" ;
dbo:iupacName "2,7-Dimethylquinoline"@en ;
dbo:pubchem "7138"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C=CC(=N2)C" ;
dbp:inchikey "InChIKey=QXKPLNCZSFACPU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001253 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "27DC1yqnlne" ;
skos:prefLabel "2,7-dimethylquinoline"@nl .
csc:PZIRJMYRYORVIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:28213 ;
dbo:casNumber "17040-19-6" ;
dbo:formula "C6H15O5PS2" ;
dbo:inchi "InChI=1S/C6H15O5PS2/c1-4-14(8,9)6-5-13-12(7,10-2)11-3/h4-6H2,1-3H3" ;
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfonylethane"@en ;
dbo:pubchem "28213"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)CCSP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=PZIRJMYRYORVIT-UHFFFAOYSA-N" ;
skos:altLabel "demeton-S-methylsulfon"@nl ;
skos:broader csc:CHEMONTID_0000505 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demtSC1ysfn" ;
skos:prefLabel "demeton-s-methylsulfon"@nl .
csc:WFNLHDJJZSJARK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6897 ;
dbo:casNumber "87-63-8" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-3-2-4-6(8)7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "2-Chloro-6-methylaniline"@en ;
dbo:pubchem "6897"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)Cl)N" ;
dbp:inchikey "InChIKey=WFNLHDJJZSJARK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6C1yAn" ;
skos:prefLabel "2-chloor-6-methylaniline"@nl .
csc:JCXGWMGPZLAOME-BKFZFHPZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328549 ;
dbo:casNumber "14733-03-0" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1+5" ;
dbo:iupacName "bismuth-214"@en ;
dbo:pubchem "6328549"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-BKFZFHPZSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi214" ;
skos:prefLabel "bismuth 214"@nl .
csc:NJPPVKZQTLUDBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93541 ;
dbo:casNumber "116714-46-6" ;
dbo:formula "C17H9ClF8N2O4" ;
dbo:inchi "InChI=1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)" ;
dbo:iupacName "N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "93541"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)OC(C(OC(F)(F)F)F)(F)F)Cl)F" ;
dbp:inchikey "InChIKey=NJPPVKZQTLUDBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "novlrn" ;
skos:prefLabel "novaluron"@nl .
csc:FHNFHKCVQCLJFQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23991 ;
dbo:casNumber "7440-63-3" ;
dbo:formula "Xe" ;
dbo:inchi "InChI=1S/Xe" ;
dbo:iupacName "XENON"@en ;
dbo:pubchem "23991"^^xsd:int ;
dbo:smiles "[Xe]" ;
dbp:inchikey "InChIKey=FHNFHKCVQCLJFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Xe" ;
skos:prefLabel "xenon"@nl .
csc:MQJKPEGWNLWLTK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2955 ;
dbo:casNumber "80-08-0" ;
dbo:formula "C12H12N2O2S" ;
dbo:inchi "InChI=1S/C12H12N2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,13-14H2" ;
dbo:iupacName "4-(4-aminophenyl)sulfonylaniline"@en ;
dbo:pubchem "2955"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=MQJKPEGWNLWLTK-UHFFFAOYSA-N" ;
skos:altLabel "dapsone"@nl ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dapsn" ;
skos:prefLabel "dapson"@nl .
csc:VNWKTOKETHGBQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II (D1, definities broeikasgassen)"@nl , "VLAR III (D3, art 3.12.5.1.7) 'CH4-gehalte'"@nl ;
rdfs:seeAlso compound:297 ;
dbo:casNumber "74-82-8" ;
dbo:formula "CH4" ;
dbo:inchi "InChI=1S/CH4/h1H4" ;
dbo:iupacName "methane"@en ;
dbo:pubchem "297"^^xsd:int ;
dbo:smiles "C" ;
dbp:inchikey "InChIKey=VNWKTOKETHGBQD-UHFFFAOYSA-N" ;
skos:altLabel "methaan"@nl , "methaan (ch4)"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1a" ;
skos:prefLabel "methaan (CH4)"@nl .
csc:NDJKXXJCMXVBJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12398 ;
dbo:casNumber "629-78-7" ;
dbo:formula "C17H36" ;
dbo:inchi "InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3" ;
dbo:iupacName "Heptadecane"@en ;
dbo:pubchem "12398"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=NDJKXXJCMXVBJW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C17a" ;
skos:prefLabel "heptadecaan"@nl .
csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27582 ;
dbo:casNumber "15950-66-0" ;
dbo:formula "C6H3Cl3O" ;
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H" ;
dbo:iupacName "2,3,4-TRICHLOROPHENOL"@en ;
dbo:pubchem "27582"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1O)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HSQFVBWFPBKHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_15950-66-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TClFol" ;
skos:prefLabel "2,3,4-trichloorfenol"@nl ;
vcs:vmmParameterId "337"^^xsd:int .
csc:FXNDIJDIPNCZQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7868 ;
dbo:casNumber "25167-70-8" , "12002-23-2" , "107-39-1" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3" ;
dbo:iupacName "2,4,4-Trimethylpent-1-ene"@en ;
dbo:pubchem "7868"^^xsd:int ;
dbo:smiles "CC(=C)CC(C)(C)C" ;
dbp:inchikey "InChIKey=FXNDIJDIPNCZQJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1yC5e" ;
skos:prefLabel "2,4,4-trimethylpenteen"@nl .
csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:335 ;
dbo:casNumber "95-48-7" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3" ;
dbo:iupacName "2-Methylphenol"@en ;
dbo:pubchem "335"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=QWVGKYWNOKOFNN-UHFFFAOYSA-N" ;
skos:altLabel "2-methylfenol (o-cresol)"@nl , "2-methylfenol"@nl ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_95-48-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ocresl" ;
skos:prefLabel "o-cresol"@nl ;
vcs:vmmParameterId "658"^^xsd:int .
csc:KNHUKKLJHYUCFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2796 ;
dbo:casNumber "637-07-0" ;
dbo:formula "C12H15ClO3" ;
dbo:inchi "InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8-10/h5-8H,4H2,1-3H3" ;
dbo:iupacName "Ethyl 2-(4-chlorophenoxy)-2-methylpropanoate"@en ;
dbo:pubchem "2796"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C)(C)OC1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=KNHUKKLJHYUCFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clofbt" ;
skos:prefLabel "clofibraat"@nl .
csc:SASYSVUEVMOWPL-NXVVXOECSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5363234 ;
dbo:casNumber "3687-46-5" ;
dbo:formula "C28H54O2" ;
dbo:inchi "InChI=1S/C28H54O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28(29)30-27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-27H2,1-2H3/b16-15-" ;
dbo:iupacName "decyl (Z)-octadec-9-enoate"@en ;
dbo:pubchem "5363234"^^xsd:int ;
dbo:smiles "CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC" ;
dbp:inchikey "InChIKey=SASYSVUEVMOWPL-NXVVXOECSA-N" ;
skos:broader csc:CHEMONTID_0003322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C10y9C18enat" ;
skos:prefLabel "decyl 9-octadecenoaat"@nl .
csc:HCTVWSOKIJULET-LQDWTQKMSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8605 ;
dbo:casNumber "87-08-1" , "132-98-9" , "8059-73-2" ;
dbo:formula "C16H17KN2O5S" ;
dbo:inchi "InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1" ;
dbo:iupacName "potassium (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en ;
dbo:pubchem "8605"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]" ;
dbp:inchikey "InChIKey=HCTVWSOKIJULET-LQDWTQKMSA-M" ;
skos:altLabel "penicilline V"@nl ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penclnV" ;
skos:prefLabel "penicilline v"@nl .
csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4096 ;
dbo:casNumber "10265-92-6" , "65960-97-6" , "115182-35-9" ;
dbo:formula "C2H8NO2PS" ;
dbo:inchi "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)" ;
dbo:iupacName "(amino-methylsulfanylphosphoryl)oxymethane"@en ;
dbo:pubchem "4096"^^xsd:int ;
dbo:smiles "COP(=O)(N)SC" ;
dbp:inchikey "InChIKey=NNKVPIKMPCQWCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004665 ;
skos:exactMatch wise:CAS_10265-92-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mtmdfs" ;
skos:prefLabel "methamidofos"@nl ;
vcs:vmmParameterId "402"^^xsd:int .
csc:OYEHPCDNVJXUIW-VENIDDJXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61709 ;
dbo:casNumber "13981-16-3" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-6" ;
dbo:iupacName "plutonium-238"@en ;
dbo:pubchem "61709"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-VENIDDJXSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu238" ;
skos:prefLabel "plutonium 238"@nl .
csc:GUAWMXYQZKVRCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69137 ;
dbo:casNumber "611-21-2" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-5-3-4-6-8(7)9-2/h3-6,9H,1-2H3" ;
dbo:iupacName "N,2-Dimethylaniline"@en ;
dbo:pubchem "69137"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1NC" ;
dbp:inchikey "InChIKey=GUAWMXYQZKVRCW-UHFFFAOYSA-N" ;
skos:altLabel "n,2-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2DC1yAn" ;
skos:prefLabel "N,2-dimethylaniline"@nl .
csc:KIWBPDUYBMNFTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6004 ;
dbo:casNumber "15066-87-2" , "540-82-9" ;
dbo:formula "C2H6O4S" ;
dbo:inchi "InChI=1S/C2H6O4S/c1-2-6-7(3,4)5/h2H2,1H3,(H,3,4,5)" ;
dbo:iupacName "ethyl hydrogen sulfate"@en ;
dbo:pubchem "6004"^^xsd:int ;
dbo:smiles "CCOS(=O)(=O)O" ;
dbp:inchikey "InChIKey=KIWBPDUYBMNFTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2ySO4" ;
skos:prefLabel "ethylsulfaat"@nl .
csc:APFVFJFRJDLVQX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5359967 ;
dbo:casNumber "7440-74-6" ;
dbo:formula "In" ;
dbo:inchi "InChI=1S/In" ;
dbo:iupacName "INDIUM"@en ;
dbo:pubchem "5359967"^^xsd:int ;
dbo:smiles "[In]" ;
dbp:inchikey "InChIKey=APFVFJFRJDLVQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "In" ;
skos:prefLabel "indium"@nl .
csc:XEEYBQQBJWHFJM-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:26815 ;
dbo:casNumber "14681-59-5" ;
dbo:formula "Fe" ;
dbo:inchi "InChI=1S/Fe/i1-1" ;
dbo:iupacName "iron-55"@en ;
dbo:pubchem "26815"^^xsd:int ;
dbo:smiles "[Fe]" ;
dbp:inchikey "InChIKey=XEEYBQQBJWHFJM-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fe55" ;
skos:prefLabel "ijzer 55"@nl .
csc:JIRRNZWTWJGJCT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10933 ;
dbo:casNumber "541-53-7" , "26641-95-2" ;
dbo:formula "C2H5N3S2" ;
dbo:inchi "InChI=1S/C2H5N3S2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)" ;
dbo:iupacName "carbamothioylthiourea"@en ;
dbo:pubchem "10933"^^xsd:int ;
dbo:smiles "C(=NC(=N)S)(N)S" ;
dbp:inchikey "InChIKey=JIRRNZWTWJGJCT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dtoburt" ;
skos:prefLabel "dithiobiuret"@nl .
csc:KQUQKVGNBPTEFO-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61792 ;
dbo:casNumber "10198-45-5" , "60226-96-2" , "15339-36-3" , "7786-33-6" , "6379-47-1" ;
dbo:formula "C6H12MnN2S4" ;
dbo:inchi "InChI=1S/2C3H7NS2.Mn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2" ;
dbo:iupacName "dimethylaminomethanedithioate; manganese(+2) cation"@en ;
dbo:pubchem "61792"^^xsd:int ;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Mn+2]" ;
dbp:inchikey "InChIKey=KQUQKVGNBPTEFO-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003997 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manm" ;
skos:prefLabel "manam"@nl .
csc:HEFNNWSXXWATRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3672 ;
dbo:casNumber "58560-75-1" , "15687-27-1" ;
dbo:formula "C13H18O2" ;
dbo:inchi "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)" ;
dbo:iupacName "2-[4-(2-methylpropyl)phenyl]propanoic acid"@en ;
dbo:pubchem "3672"^^xsd:int ;
dbo:smiles "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O" ;
dbp:inchikey "InChIKey=HEFNNWSXXWATRW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002551 ;
skos:exactMatch wise:CAS_15687-27-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ibpfn" ;
skos:prefLabel "ibuprofen"@nl ;
vcs:vmmParameterId "1400"^^xsd:int .
csc:KJCVRFUGPWSIIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7005 ;
dbo:casNumber "50356-21-3" , "90-15-3" ;
dbo:formula "C10H8O" ;
dbo:inchi "InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H" ;
dbo:iupacName "naphthalen-1-ol"@en ;
dbo:pubchem "7005"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2O" ;
dbp:inchikey "InChIKey=KJCVRFUGPWSIIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002441 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1HOxNaf" ;
skos:prefLabel "1-hydroxynaftaleen"@nl .
csc:JXHJNEJVUNHLKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37125 ;
dbo:casNumber "35400-43-2" ;
dbo:formula "C12H19O2PS3" ;
dbo:inchi "InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3" ;
dbo:iupacName "ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidenephosphorane"@en ;
dbo:pubchem "37125"^^xsd:int ;
dbo:smiles "CCCSP(=S)(OCC)OC1=CC=C(C=C1)SC" ;
dbp:inchikey "InChIKey=JXHJNEJVUNHLKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulpfs" ;
skos:prefLabel "sulprofos"@nl .
csc:VIIZJXNVVJKISZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62340 ;
dbo:casNumber "93-90-3" ;
dbo:formula "C9H13NO" ;
dbo:inchi "InChI=1S/C9H13NO/c1-10(7-8-11)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3" ;
dbo:iupacName "2-(methyl-phenylamino)ethanol"@en ;
dbo:pubchem "62340"^^xsd:int ;
dbo:smiles "CN(CCO)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=VIIZJXNVVJKISZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FyC1yC2olAe" ;
skos:prefLabel "fenylmethylethanolamine"@nl .
csc:SNPPWIUOZRMYNY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:444 ;
dbo:casNumber "34841-39-9" , "34911-55-2" ;
dbo:formula "C13H18ClNO" ;
dbo:inchi "InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3" ;
dbo:iupacName "2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one"@en ;
dbo:pubchem "444"^^xsd:int ;
dbo:smiles "CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C" ;
dbp:inchikey "InChIKey=SNPPWIUOZRMYNY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "buppon" ;
skos:prefLabel "bupropion"@nl .
csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3118 ;
dbo:casNumber "298-04-4" ;
dbo:formula "C8H19O2PS3" ;
dbo:inchi "InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3" ;
dbo:iupacName "diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidenephosphorane"@en ;
dbo:pubchem "3118"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCCSCC" ;
dbp:inchikey "InChIKey=DOFZAZXDOSGAJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:exactMatch wise:CAS_298-04-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dsftn" ;
skos:prefLabel "disulfoton"@nl ;
vcs:vmmParameterId "397"^^xsd:int .
csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115224 ;
dbo:casNumber "111988-49-9" ;
dbo:formula "C10H9ClN4S" ;
dbo:inchi "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2" ;
dbo:iupacName "[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide"@en ;
dbo:pubchem "115224"^^xsd:int ;
dbo:smiles "C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl" ;
dbp:inchikey "InChIKey=HOKKPVIRMVDYPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:exactMatch wise:CAS_111988-49-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiacpd" ;
skos:prefLabel "thiacloprid"@nl ;
vcs:vmmParameterId "1504"^^xsd:int .
csc:UWYHMGVUTGAWSP-JKIFEVAISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6196 ;
dbo:casNumber "66-79-5" ;
dbo:formula "C19H19N3O5S" ;
dbo:inchi "InChI=1S/C19H19N3O5S/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26)/t13-,14+,17-/m1/s1" ;
dbo:iupacName "(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en ;
dbo:pubchem "6196"^^xsd:int ;
dbo:smiles "CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=UWYHMGVUTGAWSP-JKIFEVAISA-N" ;
skos:broader csc:CHEMONTID_0004830 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Oaclne" ;
skos:prefLabel "oxacilline"@nl .
csc:HSDSKVWQTONQBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6985 ;
dbo:casNumber "89-74-7" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-7-4-5-10(9(3)11)8(2)6-7/h4-6H,1-3H3" ;
dbo:iupacName "1-(2,4-DIMETHYLPHENYL)ETHANONE"@en ;
dbo:pubchem "6985"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(=O)C)C" ;
dbp:inchikey "InChIKey=HSDSKVWQTONQBJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124DC1yFyC2o" ;
skos:prefLabel "1-(2,4-dimethylfenyl) ethanon"@nl .
csc:YACLQRRMGMJLJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31369 ;
dbo:casNumber "184963-09-5" , "126-99-8" ;
dbo:formula "C4H5Cl" ;
dbo:inchi "InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2" ;
dbo:iupacName "2-Chlorobuta-1,3-diene"@en ;
dbo:pubchem "31369"^^xsd:int ;
dbo:smiles "C=CC(=C)Cl" ;
dbp:inchikey "InChIKey=YACLQRRMGMJLJV-UHFFFAOYSA-N" ;
skos:altLabel "2-chloor-1,3-butadieen"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_126-99-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpn" ;
skos:prefLabel "chloropreen"@nl ;
vcs:vmmParameterId "349"^^xsd:int .
csc:RHIROFAGUQOFLU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38200 ;
dbo:casNumber "39001-02-0" ;
dbo:formula "C12Cl8O" ;
dbo:inchi "InChI=1S/C12Cl8O/c13-3-1-2-4(14)6(16)8(18)10(20)12(2)21-11(1)9(19)7(17)5(3)15" ;
dbo:iupacName "1,2,3,4,6,7,8,9-Octachlorodibenzofuran"@en ;
dbo:pubchem "38200"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RHIROFAGUQOFLU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "octachloordibenzofuraan"@nl , "octachloordibenzofuraan (ocdf)"@nl , " octachloordibenzofuraan"@nl , "octachloordibenzofuran"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_39001-02-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF135" ;
skos:prefLabel "1,2,3,4,6,7,8,9-octachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1246"^^xsd:int .
csc:UCKMPCXJQFINFW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29109 ;
dbo:casNumber "18496-25-8" ;
dbo:formula "S-2" ;
dbo:inchi "InChI=1S/S/q-2" ;
dbo:iupacName "Sulfide"@en ;
dbo:pubchem "29109"^^xsd:int ;
dbo:smiles "[S-2]" ;
dbp:inchikey "InChIKey=UCKMPCXJQFINFW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_III_C_040 , co:WAC_III_C_041 ;
skos:altLabel "sulfide (opgeloste en in zuur milieu oplosbare)"@nl ;
skos:broader csc:CHEMONTID_0000555 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "S" ;
skos:prefLabel "sulfide"@nl .
csc:IOQPZZOEVPZRBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8143 ;
dbo:casNumber "68037-94-5" , "191113-89-0" , "111-86-4" ;
dbo:formula "C8H19N" ;
dbo:inchi "InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3" ;
dbo:iupacName "octan-1-amine"@en ;
dbo:pubchem "8143"^^xsd:int ;
dbo:smiles "CCCCCCCCN" ;
dbp:inchikey "InChIKey=IOQPZZOEVPZRBK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1AoC8a" ;
skos:prefLabel "1-aminooctaan"@nl .
csc:WATWJIUSRGPENY-AKLPVKDBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6335317 ;
dbo:casNumber "14234-35-6" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+3" ;
dbo:iupacName "antimony-125"@en ;
dbo:pubchem "6335317"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb125" ;
skos:prefLabel "antimoon 125"@nl .
csc:YUGWDVYLFSETPE-JLHYYAGUSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6434488 ;
dbo:casNumber "98311-74-1" , "54406-48-3" , "96895-17-9" , "92836-82-3" ;
dbo:formula "C18H26O2" ;
dbo:inchi "InChI=1S/C18H26O2/c1-8-10-13(5)15(9-2)20-17(19)16-14(11-12(3)4)18(16,6)7/h2,10-11,14-16H,8H2,1,3-7H3/b13-10+" ;
dbo:iupacName "[(E)-4-methylhept-4-en-1-yn-3-yl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "6434488"^^xsd:int ;
dbo:smiles "CCC=C(C)C(C#C)OC(=O)C1C(C1(C)C)C=C(C)C" ;
dbp:inchikey "InChIKey=YUGWDVYLFSETPE-JLHYYAGUSA-N" ;
skos:broader csc:CHEMONTID_0001563 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "emptn" ;
skos:prefLabel "empenthrin"@nl .
csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:43079 ;
dbo:casNumber "59756-60-4" ;
dbo:formula "C19H14F3NO" ;
dbo:inchi "InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3" ;
dbo:iupacName "1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one"@en ;
dbo:pubchem "43079"^^xsd:int ;
dbo:smiles "CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=YWBVHLJPRPCRSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002317 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurdn" ;
skos:prefLabel "fluridon"@nl .
csc:WJNRPILHGGKWCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4937 ;
dbo:casNumber "139-40-2" ;
dbo:formula "C9H16ClN5" ;
dbo:inchi "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "4937"^^xsd:int ;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C" ;
dbp:inchikey "InChIKey=WJNRPILHGGKWCK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004734 ;
skos:exactMatch wise:CAS_139-40-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propzne" ;
skos:prefLabel "propazine"@nl ;
vcs:vmmParameterId "279"^^xsd:int .
csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11567 ;
dbo:casNumber "625-96-7" , "591-24-2" , "24965-87-5" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3" ;
dbo:iupacName "3-methylcyclohexan-1-one"@en ;
dbo:pubchem "11567"^^xsd:int ;
dbo:smiles "CC1CCCC(=O)C1" ;
dbp:inchikey "InChIKey=UJBOOUHRTQVGRU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_007 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "3-methylcyclohexanon"@nl .
csc:LEOCKULGXOQRTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33121 ;
dbo:casNumber "25637-99-4" , "22374-57-8" ;
dbo:formula "C12H18Br6" ;
dbo:inchi "InChI=1S/C12H18Br6/c13-7-1-8(14)3-10(16)5-12(18)6-11(17)4-9(15)2-7/h7-12H,1-6H2" ;
dbo:iupacName "1,3,5,7,9,11-hexabromocyclododecane"@en ;
dbo:pubchem "33121"^^xsd:int ;
dbo:smiles "C1C(CC(CC(CC(CC(CC1Br)Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=LEOCKULGXOQRTQ-UHFFFAOYSA-N" ;
skos:altLabel "som hbcd (technisch mengsel, niet-gespecif. broom-posities)"@nl ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HBCD" ;
skos:prefLabel "som HBCD (technisch mengsel, niet-gespecif. broom-posities)"@nl .
csc:BAPJBEWLBFYGME-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7294 ;
dbo:casNumber "96-33-3" , "102256-29-1" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3-4(5)6-2/h3H,1H2,2H3" ;
dbo:iupacName "methyl prop-2-enoate"@en ;
dbo:pubchem "7294"^^xsd:int ;
dbo:smiles "COC(=O)C=C" ;
dbp:inchikey "InChIKey=BAPJBEWLBFYGME-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_000 , co:LUC_IV_012 ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yaclt" ;
skos:prefLabel "methylacrylaat"@nl .
csc:FAOSYNUKPVJLNZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16996 ;
dbo:casNumber "2406-65-7" ;
dbo:formula "C4H12Sn" ;
dbo:inchi "InChI=1S/C4H9.Sn.3H/c1-3-4-2;;;;/h1,3-4H2,2H3;;;;" ;
dbo:iupacName "BUTYLSTANNANE"@en ;
dbo:pubchem "16996"^^xsd:int ;
dbo:smiles "CCCC[SnH3]" ;
dbp:inchikey "InChIKey=FAOSYNUKPVJLNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004150 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "monobutyltin"@nl .
csc:KRRBFUJMQBDDPR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:165872 ;
dbo:casNumber "71887-25-7" , "10442-39-4" ;
dbo:formula "C17H36N2" ;
dbo:inchi "InChI=1S/C16H36N.CN/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;/q+1;-1" ;
dbo:iupacName "tetrabutylazanium cyanide"@en ;
dbo:pubchem "165872"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[C-]#N" ;
dbp:inchikey "InChIKey=KRRBFUJMQBDDPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4CN" ;
skos:prefLabel "tetrabutylammonium cyanide"@nl .
csc:FVAUCKIRQBBSSJ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5238 ;
dbo:casNumber "61456-04-0" , "59216-98-7" , "41927-88-2" , "7681-82-5" ;
dbo:formula "INa" ;
dbo:inchi "InChI=1S/HI.Na/h1H;/q;+1/p-1" ;
dbo:iupacName "Sodium Iodide"@en ;
dbo:pubchem "5238"^^xsd:int ;
dbo:smiles "[Na+].[I-]" ;
dbp:inchikey "InChIKey=FVAUCKIRQBBSSJ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaI" ;
skos:prefLabel "natriumjodide"@nl .
csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6230 ;
dbo:casNumber "68-22-4" ;
dbo:formula "C20H26O2" ;
dbo:inchi "InChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1" ;
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6230"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "InChIKey=VIKNJXKGJWUCNN-XGXHKTLJSA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "noretsrn" ;
skos:prefLabel "norethisteron"@nl .
csc:OZHJEQVYCBTHJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6906 ;
dbo:casNumber "26101-97-3" , "87-83-2" ;
dbo:formula "C7H3Br5" ;
dbo:inchi "InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentabromo-6-methylbenzene"@en ;
dbo:pubchem "6906"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br" ;
dbp:inchikey "InChIKey=OZHJEQVYCBTHJT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001098 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "pentabroomtolueen"@nl .
csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25485 ;
dbo:casNumber "13588-28-8" , "112388-78-0" , "83730-60-3" , "197632-43-2" , "12002-35-6" , "104512-57-4" , "34590-94-8" ;
dbo:formula "C7H16O3" ;
dbo:inchi "InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "2-(2-methoxypropoxy)propan-1-ol"@en ;
dbo:pubchem "25485"^^xsd:int ;
dbo:smiles "CC(CO)OCC(C)OC" ;
dbp:inchikey "InChIKey=CUDYYMUUJHLCGZ-UHFFFAOYSA-N" ;
skos:altLabel "2-(2-methoxypropoxy)-1-propanol"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C1oxC3ox1C" , "DC3yegcC1yEt" ;
skos:prefLabel "dipropyleenglycolmonomethylether"@nl .
csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38881 ;
dbo:casNumber "41464-51-1" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene"@en ;
dbo:pubchem "38881"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JTUSORDQZVOEAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB97" ;
skos:prefLabel "2,2',3,4',5'-pentachloorbifenyl"@nl .
csc:QBAYIBZITZBSFO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67759 ;
dbo:casNumber "360-64-5" ;
dbo:formula "C8H6F3NO" ;
dbo:inchi "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)" ;
dbo:iupacName "2-(Trifluoromethyl)benzamide"@en ;
dbo:pubchem "67759"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F" ;
dbp:inchikey "InChIKey=QBAYIBZITZBSFO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2TFC1yBenAd" ;
skos:prefLabel "2-trifluoromethylbenzamide"@nl .
csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'"@nl , "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'"@nl , "VLAR III (D3, diverse art) 'Cr'"@nl ;
rdfs:seeAlso compound:23976 ;
dbo:casNumber "7440-47-3" , "19498-56-7" , "195161-82-1" , "188785-87-7" ;
dbo:formula "Cr" ;
dbo:inchi "InChI=1S/Cr" ;
dbo:iupacName "Chromium"@en ;
dbo:pubchem "23976"^^xsd:int ;
dbo:smiles "[Cr]" ;
dbp:inchikey "InChIKey=VYZAMTAEIAYCRO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "chroom"@nl , "chroom (cr)"@nl , "chroom, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)"@nl ;
skos:exactMatch wise:CAS_7440-47-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cr" ;
skos:prefLabel "Chroom (Cr)"@nl ;
vcs:vmmParameterId "1929"^^xsd:int , "154"^^xsd:int , "155"^^xsd:int , "153"^^xsd:int .
csc:DAIIXVPKQATIMF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18505 ;
dbo:casNumber "3175-23-3" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3" ;
dbo:iupacName "1,2,2-TRICHLOROPROPANE"@en ;
dbo:pubchem "18505"^^xsd:int ;
dbo:smiles "CC(CCl)(Cl)Cl" ;
dbp:inchikey "InChIKey=DAIIXVPKQATIMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "122TClC3a" ;
skos:prefLabel "1,2,2-trichloorpropaan"@nl .
csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:71188 ;
dbo:casNumber "93106-60-6" ;
dbo:formula "C19H22FN3O3" ;
dbo:inchi "InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)" ;
dbo:iupacName "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "71188"^^xsd:int ;
dbo:smiles "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F" ;
dbp:inchikey "InChIKey=SPFYMRJSYKOXGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "enrfxcne" ;
skos:prefLabel "enrofloxacine"@nl .
csc:KZBUYRJDOAKODT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'"@nl , "VLAR II (D5)"@nl , "VLAR III (D3) 'chloorgas'"@nl , "VLAR II bijl. 4.4.2 'chloorgas'"@nl , "VLAR III (D3) 'chloor, uitgedrukt als Cl2'"@nl , "VLAR II bijl. 2.5.1"@nl ;
rdfs:seeAlso compound:24526 ;
dbo:casNumber "7782-50-5" ;
dbo:formula "Cl2" ;
dbo:inchi "InChI=1S/Cl2/c1-2" ;
dbo:iupacName "Molecular chlorine"@en ;
dbo:pubchem "24526"^^xsd:int ;
dbo:smiles "ClCl" ;
dbp:inchikey "InChIKey=KZBUYRJDOAKODT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_002 ;
skos:altLabel "chloor"@nl ;
skos:broader csc:CHEMONTID_0000432 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cl2" ;
skos:prefLabel "dichloor"@nl .
csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4828 ;
dbo:casNumber "13523-86-9" , "21870-06-4" ;
dbo:formula "C14H20N2O2" ;
dbo:inchi "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3" ;
dbo:iupacName "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "4828"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O" ;
dbp:inchikey "InChIKey=JZQKKSLKJUAGIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pindll" ;
skos:prefLabel "pindolol"@nl .
csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23705 ;
dbo:casNumber "7281-04-1" ;
dbo:formula "C21H38BrN" ;
dbo:inchi "InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-dimethylazanium bromide"@en ;
dbo:pubchem "23705"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]" ;
dbp:inchikey "InChIKey=KHSLHYAUZSPBIU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003976 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DDBAB" ;
skos:prefLabel "dodecyldimethylbenzylammoniumbromide"@nl .
csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8154 ;
dbo:casNumber "139272-33-6" , "79728-63-5" , "68002-63-1" , "112-02-7" , "53023-95-3" , "146909-27-5" ;
dbo:formula "C19H42ClN" ;
dbo:inchi "InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "hexadecyl-trimethylazanium chloride"@en ;
dbo:pubchem "8154"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "InChIKey=WOWHHFRSBJGXCM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C16ylTC1ylNH" ;
skos:prefLabel "hexadecyltrimethylammoniumchloride"@nl .
csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:92316 ;
dbo:casNumber "40020-01-7" ;
dbo:formula "C10H7ClN2O" ;
dbo:inchi "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)" ;
dbo:iupacName "6-chloro-3-phenyl-1H-pyridazin-4-one"@en ;
dbo:pubchem "92316"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl" ;
dbp:inchikey "InChIKey=ZUSHSDOEVHPTCU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrdfl" ;
skos:prefLabel "pyridafol"@nl .
csc:QXJKBPAVAHBARF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:36242 ;
dbo:casNumber "68444-90-6" , "60120-20-9" , "32809-16-8" ;
dbo:formula "C13H11Cl2NO2" ;
dbo:inchi "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3" ;
dbo:iupacName "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione"@en ;
dbo:pubchem "36242"^^xsd:int ;
dbo:smiles "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C" ;
dbp:inchikey "InChIKey=QXJKBPAVAHBARF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000303 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "procmdn" ;
skos:prefLabel "procymidon"@nl .
csc:XUKUURHRXDUEBC-KAYWLYCHSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:60823 ;
dbo:casNumber "134523-00-5" ;
dbo:formula "C33H35FN2O5" ;
dbo:inchi "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1" ;
dbo:iupacName "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid"@en ;
dbo:pubchem "60823"^^xsd:int ;
dbo:smiles "CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4" ;
dbp:inchikey "InChIKey=XUKUURHRXDUEBC-KAYWLYCHSA-N" ;
skos:broader csc:CHEMONTID_0002695 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "atvttne" ;
skos:prefLabel "atorvastatine"@nl .
csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24340 ;
dbo:casNumber "7681-52-9" , "227453-69-2" , "8007-59-8" , "56172-57-7" ;
dbo:formula "ClNaO" ;
dbo:inchi "InChI=1S/ClO.Na/c1-2;/q-1;+1" ;
dbo:iupacName "SODIUM HYPOCHLORITE"@en ;
dbo:pubchem "24340"^^xsd:int ;
dbo:smiles "[O-]Cl.[Na+]" ;
dbp:inchikey "InChIKey=SUKJFIGYRHOWBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaOCl" ;
skos:prefLabel "natriumhypochloriet"@nl .
csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7406 ;
dbo:casNumber "68333-89-1" , "144637-93-4" , "172867-64-0" , "56748-62-0" , "63849-49-0" , "98444-30-5" , "68411-37-0" , "9044-64-8" , "40494-15-3" , "58033-91-3" , "86090-91-7" , "9055-91-8" , "172641-48-4" , "60120-16-3" , "55465-00-4" , "60880-98-0" , "53112-49-5" , "39470-87-6" , "52932-49-7" , "57657-06-4" , "61584-90-5" , "61584-89-2" , "12627-11-1" , "51609-83-7" , "120037-99-2" , "98-82-8" , "51609-87-1" , "11120-46-0" , "105270-05-1" , "56451-72-0" , "117079-77-3" , "53986-84-8" , "55128-06-8" , "68553-94-6" , "60328-46-3" , "54596-41-7" , "81834-12-0" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3" ;
dbo:iupacName "cumene"@en ;
dbo:pubchem "7406"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=RWGFKTVRMDUZSP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_000 , co:LUC_IV_011 ;
skos:altLabel "isopropylbenzeen"@nl , "isopropylbenzeen (cumeen)"@nl ;
skos:broader csc:CHEMONTID_0000355 ;
skos:exactMatch wise:CAS_98-82-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumn" ;
skos:prefLabel "cumeen"@nl ;
vcs:vmmParameterId "221"^^xsd:int .
csc:CUONGYYJJVDODC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8010 ;
dbo:casNumber "109-77-3" , "144804-99-9" ;
dbo:formula "C3H2N2" ;
dbo:inchi "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2" ;
dbo:iupacName "Propanedinitrile"@en ;
dbo:pubchem "8010"^^xsd:int ;
dbo:smiles "C(C#N)C#N" ;
dbp:inchikey "InChIKey=CUONGYYJJVDODC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malnntl" ;
skos:prefLabel "malononitril"@nl .
csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:294 ;
dbo:casNumber "13360-52-6" , "63-42-3" , "69-79-4" , "16462-44-5" , "528-50-7" ;
dbo:formula "C12H22O11" ;
dbo:inchi "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2" ;
dbo:iupacName "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol"@en ;
dbo:pubchem "294"^^xsd:int ;
dbo:smiles "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O" ;
dbp:inchikey "InChIKey=GUBGYTABKSRVRQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lactse" ;
skos:prefLabel "lactose"@nl .
csc:LLWADFLAOKUBDR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7207 ;
dbo:casNumber "94-81-5" ;
dbo:formula "C11H13ClO3" ;
dbo:inchi "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)" ;
dbo:iupacName "4-(4-Chloro-2-methylphenoxy)butanoic acid"@en ;
dbo:pubchem "7207"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O" ;
dbp:inchikey "InChIKey=LLWADFLAOKUBDR-UHFFFAOYSA-N" ;
skos:altLabel "4-(4-chloor-2-methylfenoxy)boterzuur"@nl , "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)"@nl ;
skos:broader csc:CHEMONTID_0002341 ;
skos:exactMatch wise:CAS_94-81-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MCPB" ;
skos:prefLabel "2-methyl-4-chloorfenoxyboterzuur"@nl ;
vcs:vmmParameterId "507"^^xsd:int .
csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3032831 ;
dbo:casNumber "27157-66-0" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3" ;
dbo:iupacName "2-decylphenol"@en ;
dbo:pubchem "3032831"^^xsd:int ;
dbo:smiles "CCCCCCCCCCC1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=FDIPWBUDOCPIMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004647 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "decylfenol"@nl .
csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3463 ;
dbo:casNumber "25812-30-0" ;
dbo:formula "C15H22O3" ;
dbo:inchi "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)" ;
dbo:iupacName "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid"@en ;
dbo:pubchem "3463"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O" ;
dbp:inchikey "InChIKey=HEMJJKBWTPKOJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gemfbzl" ;
skos:prefLabel "gemfibrozil"@nl .
csc:HZHFFEYYPYZMNU-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:153921 ;
dbo:casNumber "131410-48-5" ;
dbo:formula "C16H26GdN5O8" ;
dbo:inchi "InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3" ;
dbo:iupacName "2-[bis[2-[(2-methylamino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation"@en ;
dbo:pubchem "153921"^^xsd:int ;
dbo:smiles "CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "InChIKey=HZHFFEYYPYZMNU-UHFFFAOYSA-K" ;
skos:broader csc:CHEMONTID_0002309 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gaddamde" ;
skos:prefLabel "gadodiamide"@nl .
csc:FWWQKRXKHIRPJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12533 ;
dbo:casNumber "638-66-4" ;
dbo:formula "C18H36O" ;
dbo:inchi "InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3" ;
dbo:iupacName "Octadecanal"@en ;
dbo:pubchem "12533"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC=O" ;
dbp:inchikey "InChIKey=FWWQKRXKHIRPJY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C18al" ;
skos:prefLabel "octadecanal"@nl .
csc:RECUKUPTGUEGMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10364 ;
dbo:casNumber "499-75-2" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3" ;
dbo:iupacName "2-methyl-5-propan-2-ylphenol"@en ;
dbo:pubchem "10364"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)C(C)C)O" ;
dbp:inchikey "InChIKey=RECUKUPTGUEGMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5iC3y2C1yFol" ;
skos:prefLabel "5-isopropyl-2-methylfenol"@nl .
csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:50897 ;
dbo:casNumber "69806-50-4" , "86334-14-7" ;
dbo:formula "C19H20F3NO4" ;
dbo:inchi "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3" ;
dbo:iupacName "butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "50897"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=VAIZTNZGPYBOGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfC4y" ;
skos:prefLabel "fluazifop-butyl"@nl .
csc:JANBFCARANRIKJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:69059 ;
dbo:casNumber "605-50-5" ;
dbo:formula "C18H26O4" ;
dbo:inchi "InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3" ;
dbo:iupacName "bis(3-methylbutyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "69059"^^xsd:int ;
dbo:smiles "CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C" ;
dbp:inchikey "InChIKey=JANBFCARANRIKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "di-isopentylftalaat"@nl .
csc:OORLZFUTLGXMEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86369 ;
dbo:casNumber "111991-58-3" , "122836-35-5" ;
dbo:formula "C11H10Cl2F2N4O3S" ;
dbo:inchi "InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3" ;
dbo:iupacName "N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide"@en ;
dbo:pubchem "86369"^^xsd:int ;
dbo:smiles "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl" ;
dbp:inchikey "InChIKey=OORLZFUTLGXMEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfntzn" ;
skos:prefLabel "sulfentrazon"@nl .
csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:108201 ;
dbo:casNumber "30125-63-4" ;
dbo:formula "C7H12ClN5" ;
dbo:inchi "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)" ;
dbo:iupacName "N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "108201"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)N)Cl" ;
dbp:inchikey "InChIKey=LMKQNTMFZLAJDV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001693 ;
skos:exactMatch wise:CAS_30125-63-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desC2ytC4yaz" ;
skos:prefLabel "desethylterbutylazine"@nl ;
vcs:vmmParameterId "1392"^^xsd:int .
csc:UUSQFLGKGQEVCM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29563 ;
dbo:casNumber "19379-90-9" ;
dbo:formula "C23H42ClNO2" ;
dbo:inchi "InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1" ;
dbo:iupacName "benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride"@en ;
dbo:pubchem "29563"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]" ;
dbp:inchikey "InChIKey=UUSQFLGKGQEVCM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzxnuCl" ;
skos:prefLabel "benzoxoniumchloride"@nl .
csc:LWHQXUODFPPQTL-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:67637 ;
dbo:casNumber "335-95-5" ;
dbo:formula "C8F15NaO2" ;
dbo:inchi "InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1" ;
dbo:iupacName "sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate"@en ;
dbo:pubchem "67637"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]" ;
dbp:inchikey "InChIKey=LWHQXUODFPPQTL-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFOA_Na" ;
skos:prefLabel "perfluoroctaanzuur, natriumzout"@nl .
csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:785 ;
dbo:casNumber "123-31-9" , "57534-13-1" , "8027-02-9" ;
dbo:formula "C6H6O2" ;
dbo:inchi "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H" ;
dbo:iupacName "Benzene-1,4-diol"@en ;
dbo:pubchem "785"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)O" ;
dbp:inchikey "InChIKey=QIGBRXMKCJKVMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000136 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DHOxBen" ;
skos:prefLabel "1,4-dihydroxybenzeen"@nl .
csc:BERQWQSQOIEUMA-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:88066 ;
dbo:casNumber "19437-42-4" ;
dbo:formula "C10H7NaO9S3" ;
dbo:inchi "InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1" ;
dbo:iupacName "sodium 3,6-disulfonaphthalene-1-sulfonate"@en ;
dbo:pubchem "88066"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=BERQWQSQOIEUMA-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf136TsfntN" ;
skos:prefLabel "naftaleen-1,3,6-trisulfonaat,natriumzout"@nl .
csc:YERASKROMPMIBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62310 ;
dbo:casNumber "111512-56-2" ;
dbo:formula "C3HCl2F5" ;
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H" ;
dbo:iupacName "1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE"@en ;
dbo:pubchem "62310"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(C(F)(Cl)Cl)F" ;
dbp:inchikey "InChIKey=YERASKROMPMIBM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK225eb" ;
skos:prefLabel "1,1-dichloor-1,2,3,3,3-pentafluorpropaan"@nl .
csc:OPASCBHCTNRLRM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12541 ;
dbo:casNumber "640-15-3" ;
dbo:formula "C6H15O2PS3" ;
dbo:inchi "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3" ;
dbo:iupacName "2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "12541"^^xsd:int ;
dbo:smiles "CCSCCSP(=S)(OC)OC" ;
dbp:inchikey "InChIKey=OPASCBHCTNRLRM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tomtn" ;
skos:prefLabel "thiometon"@nl .
csc:OJYGBLRPYBAHRT-OPKHMCHVSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27525 ;
dbo:casNumber "15879-93-3" ;
dbo:formula "C8H11Cl3O6" ;
dbo:inchi "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1" ;
dbo:iupacName "1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol"@en ;
dbo:pubchem "27525"^^xsd:int ;
dbo:smiles "C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O" ;
dbp:inchikey "InChIKey=OJYGBLRPYBAHRT-OPKHMCHVSA-N" ;
skos:broader csc:CHEMONTID_0001540 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlorlse" ;
skos:prefLabel "chloralose"@nl .
csc:KEAYESYHFKHZAL-BJUDXGSMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6328543 ;
dbo:casNumber "13966-32-0" ;
dbo:formula "Na" ;
dbo:inchi "InChI=1S/Na/i1-1" ;
dbo:iupacName "sodium-22"@en ;
dbo:pubchem "6328543"^^xsd:int ;
dbo:smiles "[Na]" ;
dbp:inchikey "InChIKey=KEAYESYHFKHZAL-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Na22" ;
skos:prefLabel "natrium 22"@nl .
csc:DUZVBQWEFKXWJM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3053343 ;
dbo:casNumber "69806-34-4" , "69806-86-6" ;
dbo:formula "C15H10ClF3NNaO4" ;
dbo:inchi "InChI=1S/C15H11ClF3NO4.Na/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19;/h2-8H,1H3,(H,21,22);/q;+1/p-1" ;
dbo:iupacName "sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en ;
dbo:pubchem "3053343"^^xsd:int ;
dbo:smiles "CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl.[Na+]" ;
dbp:inchikey "InChIKey=DUZVBQWEFKXWJM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halOxfp" ;
skos:prefLabel "haloxyfop"@nl .
csc:ODLMAHJVESYWTB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7668 ;
dbo:casNumber "103-65-1" , "74296-31-4" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" ;
dbo:iupacName "Propylbenzene"@en ;
dbo:pubchem "7668"^^xsd:int ;
dbo:smiles "CCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=ODLMAHJVESYWTB-UHFFFAOYSA-N" ;
skos:altLabel "n-propylbenzeen"@nl , "propylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002811 ;
skos:exactMatch wise:CAS_103-65-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C3yBen" ;
skos:prefLabel "1-propylbenzeen"@nl ;
vcs:vmmParameterId "535"^^xsd:int .
csc:MTLMVEWEYZFYTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:37247 ;
dbo:casNumber "35693-92-6" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H" ;
dbo:iupacName "1,3,5-trichloro-2-phenylbenzene"@en ;
dbo:pubchem "37247"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=MTLMVEWEYZFYTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB30" ;
skos:prefLabel "2,4,6-trichloorbifenyl"@nl .
csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7257 ;
dbo:casNumber "95-76-1" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2" ;
dbo:iupacName "3,4-Dichloroaniline"@en ;
dbo:pubchem "7257"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1N)Cl)Cl" ;
dbp:inchikey "InChIKey=SDYWXFYBZPNOFX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_95-76-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClAn" ;
skos:prefLabel "3,4-dichlooraniline"@nl ;
vcs:vmmParameterId "48"^^xsd:int .
csc:YNJBWRMUSHSURL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6421 ;
dbo:casNumber "76-03-9" ;
dbo:formula "C2HCl3O2" ;
dbo:inchi "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2,2-trichloroacetic acid"@en ;
dbo:pubchem "6421"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Cl)Cl)O" ;
dbp:inchikey "InChIKey=YNJBWRMUSHSURL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClHAc" ;
skos:prefLabel "trichloorazijnzuur"@nl .
csc:XGXUGXPKRBQINS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27011 ;
dbo:casNumber "21702-84-1" ;
dbo:formula "C7H6Br2O" ;
dbo:inchi "InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3" ;
dbo:iupacName "2,4-dibromo-1-methoxybenzene"@en ;
dbo:pubchem "27011"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)Br)Br" ;
dbp:inchikey "InChIKey=XGXUGXPKRBQINS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DBransl" ;
skos:prefLabel "2,4-dibroomanisol"@nl .
csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7693 ;
dbo:casNumber "104-12-1" ;
dbo:formula "C7H4ClNO" ;
dbo:inchi "InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H" ;
dbo:iupacName "1-Chloro-4-isocyanatobenzene"@en ;
dbo:pubchem "7693"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N=C=O)Cl" ;
dbp:inchikey "InChIKey=ADAKRBAJFHTIEW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pClFyiCN" ;
skos:prefLabel "p-chloorfenylisocyanaat"@nl .
csc:UMFJAHHVKNCGLG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6124 ;
dbo:casNumber "62-75-9" ;
dbo:formula "C2H6N2O" ;
dbo:inchi "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3" ;
dbo:iupacName "N,N-dimethylnitrous amide"@en ;
dbo:pubchem "6124"^^xsd:int ;
dbo:smiles "CN(C)N=O" ;
dbp:inchikey "InChIKey=UMFJAHHVKNCGLG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004777 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yNOAe" ;
skos:prefLabel "dimethylnitrosamine"@nl .
csc:HAWPXGHAZFHHAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4033 ;
dbo:casNumber "51-75-2" ;
dbo:formula "C5H11Cl2N" ;
dbo:inchi "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3" ;
dbo:iupacName "2-Chloro-N-(2-chloroethyl)-N-methylethanamine"@en ;
dbo:pubchem "4033"^^xsd:int ;
dbo:smiles "CN(CCCl)CCCl" ;
dbp:inchikey "InChIKey=HAWPXGHAZFHHAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000398 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mustne" ;
skos:prefLabel "mustine"@nl .
csc:VWGNQYSIWFHEQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:33772 ;
dbo:casNumber "26880-48-8" , "27304-13-8" ;
dbo:formula "C10H4Cl8O" ;
dbo:inchi "InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H" ;
dbo:iupacName "1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene"@en ;
dbo:pubchem "33772"^^xsd:int ;
dbo:smiles "C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VWGNQYSIWFHEQU-UHFFFAOYSA-N" ;
skos:altLabel "oxychlordaan"@nl ;
skos:broader csc:CHEMONTID_0002012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OxCldn" ;
skos:prefLabel "oxychloordaan"@nl .
csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10687 ;
dbo:casNumber "526-75-0" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-4-3-5-8(9)7(6)2/h3-5,9H,1-2H3" ;
dbo:iupacName "2,3-Dimethylphenol"@en ;
dbo:pubchem "10687"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)O)C" ;
dbp:inchikey "InChIKey=QWBBPBRQALCEIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_526-75-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yFol" ;
skos:prefLabel "2,3-dimethylfenol"@nl ;
vcs:vmmParameterId "698"^^xsd:int .
csc:HEWZVZIVELJPQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6495 ;
dbo:casNumber "77-76-9" ;
dbo:formula "C5H12O2" ;
dbo:inchi "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3" ;
dbo:iupacName "2,2-Dimethoxypropane"@en ;
dbo:pubchem "6495"^^xsd:int ;
dbo:smiles "CC(C)(OC)OC" ;
dbp:inchikey "InChIKey=HEWZVZIVELJPQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DC1oxC3a" ;
skos:prefLabel "2,2-dimethoxypropaan"@nl .
csc:BOSMZFBHAYFUBJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6529 ;
dbo:casNumber "1330-78-5" , "78-32-0" ;
dbo:formula "C21H21O4P" ;
dbo:inchi "InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3" ;
dbo:iupacName "tris(4-methylphenyl) phosphate"@en ;
dbo:pubchem "6529"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C" ;
dbp:inchikey "InChIKey=BOSMZFBHAYFUBJ-UHFFFAOYSA-N" ;
skos:altLabel "tri-p-cresylfosfaat"@nl ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcsPO4" , "TpcsPO4" ;
skos:prefLabel "tricresylfosfaat"@nl .
csc:PGIBJVOPLXHHGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6788 ;
dbo:casNumber "84-77-5" ;
dbo:formula "C28H46O4" ;
dbo:inchi "InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3" ;
dbo:iupacName "didecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6788"^^xsd:int ;
dbo:smiles "CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC" ;
dbp:inchikey "InChIKey=PGIBJVOPLXHHGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC10yFt" ;
skos:prefLabel "didecylftalaat"@nl .
csc:UQSXHKLRYXJYBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14945 ;
dbo:casNumber "1345-25-1" ;
dbo:formula "FeO" ;
dbo:inchi "InChI=1S/Fe.O" ;
dbo:iupacName "oxoiron"@en ;
dbo:pubchem "14945"^^xsd:int ;
dbo:smiles "O=[Fe]" ;
dbp:inchikey "InChIKey=UQSXHKLRYXJYBZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000538 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeO" ;
skos:prefLabel "ijzeroxide"@nl .
csc:DTCJYIIKPVRVDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16007 ;
dbo:casNumber "1929-88-0" ;
dbo:formula "C9H9N3OS" ;
dbo:inchi "InChI=1S/C9H9N3OS/c1-10-8(13)12-9-11-6-4-2-3-5-7(6)14-9/h2-5H,1H3,(H2,10,11,12,13)" ;
dbo:iupacName "1-(1,3-Benzothiazol-2-yl)-3-methylurea"@en ;
dbo:pubchem "16007"^^xsd:int ;
dbo:smiles "CNC(=O)NC1=NC2=CC=CC=C2S1" ;
dbp:inchikey "InChIKey=DTCJYIIKPVRVDD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000311 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benztazrn" ;
skos:prefLabel "benzthiazuron"@nl .
csc:XSXWOBXNYNULJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62530 ;
dbo:casNumber "30105-54-5" , "209859-96-1" , "3884-95-5" , "62744-41-6" , "27193-28-8" , "29932-96-5" , "1322-69-6" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9,15H,10H2,1-5H3" ;
dbo:iupacName "2-(2,4,4-trimethylpentan-2-yl)phenol"@en ;
dbo:pubchem "62530"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=XSXWOBXNYNULJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sttC8yFol" ;
skos:prefLabel "som tertiair-octylfenol-isomeren"@nl .
csc:IZFZCMFMJKDHJZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91625 ;
dbo:casNumber "37893-02-0" ;
dbo:formula "C17H10F6N4S" ;
dbo:inchi "InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "N2,3-di(phenyl)-N4,N5-bis(trifluoromethyl)-1,3-thiazolidine-2,4,5-triimine"@en ;
dbo:pubchem "91625"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=C2N(C(=NC(F)(F)F)C(=NC(F)(F)F)S2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=IZFZCMFMJKDHJZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flubzmne" ;
skos:prefLabel "flubenzimine"@nl .
csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:53036 ;
dbo:casNumber "74472-37-0" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "53036"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SXZSFWHOSHAKMN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,4',5-pentachloorbifenyl (pcb114)"@nl , "pcb 114"@nl , "PCB 114"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_74472-37-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB114" ;
skos:prefLabel "2,3,4,4',5-pentachloorbifenyl"@nl ;
vcs:vmmParameterId "1371"^^xsd:int .
csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:3283 ;
dbo:casNumber "70131-58-7" , "69013-19-0" , "69227-20-9" , "74446-43-8" , "7578-39-4" , "71011-10-4" , "68991-48-0" , "60-29-7" ;
dbo:formula "C4H10O" ;
dbo:inchi "InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3" ;
dbo:iupacName "Ethoxyethane"@en ;
dbo:pubchem "3283"^^xsd:int ;
dbo:smiles "CCOCC" ;
dbp:inchikey "InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_008 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:altLabel "diethylether"@nl ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yEtr" ;
skos:prefLabel "di-ethylether"@nl .
csc:GUCVJGMIXFAOAE-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115134 ;
dbo:casNumber "14681-63-1" ;
dbo:formula "Nb" ;
dbo:inchi "InChI=1S/Nb/i1+1" ;
dbo:iupacName "niobium-94"@en ;
dbo:pubchem "115134"^^xsd:int ;
dbo:smiles "[Nb]" ;
dbp:inchikey "InChIKey=GUCVJGMIXFAOAE-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nb94" ;
skos:prefLabel "niobium 94"@nl .
csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9271 ;
dbo:casNumber "297-78-9" ;
dbo:formula "C9H4Cl8O" ;
dbo:inchi "InChI=1S/C9H4Cl8O/c10-3-4(11)8(15)2-1(5(12)18-6(2)13)7(3,14)9(8,16)17/h1-2,5-6H" ;
dbo:iupacName "1,3,5,7,8,9,10,10-octachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "9271"^^xsd:int ;
dbo:smiles "C12C(C(OC1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LRWHHSXTGZSMSN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:exactMatch wise:CAS_297-78-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "teldn" ;
skos:prefLabel "telodrin"@nl ;
vcs:vmmParameterId "265"^^xsd:int .
csc:PUGBZUWUTZUUCP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:86509 ;
dbo:casNumber "516-78-9" , "17105-75-8" ;
dbo:formula "C28H48O" ;
dbo:inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3" ;
dbo:iupacName "17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "86509"^^xsd:int ;
dbo:smiles "CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=PUGBZUWUTZUUCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gergsnl" ;
skos:prefLabel "gamma-ergostenol"@nl .
csc:RRAMGCGOFNQTLD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13192 ;
dbo:casNumber "66368-96-5" , "63525-90-6" , "243121-01-9" , "57350-77-3" , "88357-62-4" , "822-06-0" , "133394-59-9" , "280144-19-6" , "53192-27-1" ;
dbo:formula "C8H12N2O2" ;
dbo:inchi "InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2" ;
dbo:iupacName "1,6-Diisocyanatohexane"@en ;
dbo:pubchem "13192"^^xsd:int ;
dbo:smiles "C(CCCN=C=O)CCN=C=O" ;
dbp:inchikey "InChIKey=RRAMGCGOFNQTLD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000501 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yeDiCN" ;
skos:prefLabel "hexamethyleendiisocyanaat"@nl .
csc:NAWDYIZEMPQZHO-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161018 ;
dbo:casNumber "14041-44-2" ;
dbo:formula "Yb" ;
dbo:inchi "InChI=1S/Yb/i1+2" ;
dbo:iupacName "ytterbium-175"@en ;
dbo:pubchem "161018"^^xsd:int ;
dbo:smiles "[Yb]" ;
dbp:inchikey "InChIKey=NAWDYIZEMPQZHO-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Yb175" ;
skos:prefLabel "ytterbium 175"@nl .
csc:DOULWWSSZVEPIN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:182167 ;
dbo:casNumber "34123-57-4" ;
dbo:formula "C11H16N2O" ;
dbo:inchi "InChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)" ;
dbo:iupacName "3-methyl-1-(4-propan-2-ylphenyl)urea"@en ;
dbo:pubchem "182167"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)NC(=O)NC" ;
dbp:inchikey "InChIKey=DOULWWSSZVEPIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14iC3yFy3C1y" ;
skos:prefLabel "1-(4-isopropylfenyl)-3-methylureum"@nl .
csc:IDQHRQQSSQDLTR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:19113 ;
dbo:casNumber "3567-62-2" ;
dbo:formula "C8H8Cl2N2O" ;
dbo:inchi "InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)" ;
dbo:iupacName "1-(3,4-Dichlorophenyl)-3-methylurea"@en ;
dbo:pubchem "19113"^^xsd:int ;
dbo:smiles "CNC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=IDQHRQQSSQDLTR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "134DClFy3C1y" ;
skos:prefLabel "1-(3,4-dichloorfenyl)-3-methylureum"@nl .
csc:NCMLSPGQECDTSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
dbo:casNumber "56-36-0" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C4H9.C2H3O2.Sn/c3*1-3-4-2;1-2(3)4;/h3*1,3-4H2,2H3;1H3;" ;
dbo:iupacName "Tributylstannyl acetate"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=NCMLSPGQECDTSJ-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4ySnactt" ;
skos:prefLabel "tributyltinacetaat"@nl .
csc:CNYGFPPAGUCRIC-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2724411 ;
dbo:casNumber "2437-29-8" ;
dbo:formula "C52H54N4O12" ;
dbo:inchi "InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2" ;
dbo:iupacName "[4-[(4-dimethylaminophenyl)-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid"@en ;
dbo:pubchem "2724411"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O" ;
dbp:inchikey "InChIKey=CNYGFPPAGUCRIC-UHFFFAOYSA-L" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malcgoxlt" ;
skos:prefLabel "malachietgroen-oxalaat"@nl .
csc:GXPIUNZCALHVBA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65280 ;
dbo:casNumber "21312-10-7" ;
dbo:formula "C12H13N3O4S" ;
dbo:inchi "InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)" ;
dbo:iupacName "N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide"@en ;
dbo:pubchem "65280"^^xsd:int ;
dbo:smiles "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C" ;
dbp:inchikey "InChIKey=GXPIUNZCALHVBA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actsfmtozl" ;
skos:prefLabel "acetylsulfamethoxazol"@nl .
csc:DQMZLTXERSFNPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4909 ;
dbo:casNumber "125-33-7" ;
dbo:formula "C12H14N2O2" ;
dbo:inchi "InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)" ;
dbo:iupacName "5-ethyl-5-phenyl-1,3-diazinane-4,6-dione"@en ;
dbo:pubchem "4909"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NCNC1=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DQMZLTXERSFNPB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002202 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "primdn" ;
skos:prefLabel "primidon"@nl .
csc:UNAHYJYOSSSJHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:29393 ;
dbo:casNumber "19044-88-3" ;
dbo:formula "C12H18N4O6S" ;
dbo:inchi "InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)" ;
dbo:iupacName "4-(Dipropylamino)-3,5-dinitrobenzenesulfonamide"@en ;
dbo:pubchem "29393"^^xsd:int ;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UNAHYJYOSSSJHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "orzln" ;
skos:prefLabel "oryzalin"@nl .
csc:YWFWDNVOPHGWMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8168 ;
dbo:casNumber "83855-86-1" , "52622-54-5" , "68391-04-8" , "112-18-5" , "68390-97-6" ;
dbo:formula "C14H31N" ;
dbo:inchi "InChI=1S/C14H31N/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3/h4-14H2,1-3H3" ;
dbo:iupacName "N,N-dimethyldodecan-1-amine"@en ;
dbo:pubchem "8168"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCN(C)C" ;
dbp:inchikey "InChIKey=YWFWDNVOPHGWMX-UHFFFAOYSA-N" ;
skos:altLabel "n,n-dimethyl-1-dodecaanamine"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC1y1C12aA" ;
skos:prefLabel "N,N-dimethyl-1-dodecaanamine"@nl .
csc:FCMVPUGRXPEIQX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:98482 ;
dbo:casNumber "5202-36-8" , "2440-02-0" ;
dbo:formula "C7H3Cl7" ;
dbo:inchi "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h2H,1H2" ;
dbo:iupacName "1,2,3,4,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "98482"^^xsd:int ;
dbo:smiles "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FCMVPUGRXPEIQX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1234577HpClb" ;
skos:prefLabel "1,2,3,4,5,7,7-heptachloor-bicyclo(2.2.1)-2-hepteen"@nl .
csc:AFABGHUZZDYHJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7892 ;
dbo:casNumber "73513-42-5" , "107-83-5" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3" ;
dbo:iupacName "2-Methylpentane"@en ;
dbo:pubchem "7892"^^xsd:int ;
dbo:smiles "CCCC(C)C" ;
dbp:inchikey "InChIKey=AFABGHUZZDYHJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC5a" ;
skos:prefLabel "2-methylpentaan"@nl .
csc:ORLOBEXOFQEWFQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104820 ;
dbo:casNumber "39895-81-3" ;
dbo:formula "C5H14AsO+" ;
dbo:inchi "InChI=1S/C5H14AsO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1" ;
dbo:iupacName "2-hydroxyethyl-trimethylarsanium"@en ;
dbo:pubchem "104820"^^xsd:int ;
dbo:smiles "C[As+](C)(C)CCO" ;
dbp:inchikey "InChIKey=ORLOBEXOFQEWFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004280 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "arsenocholine"@nl .
csc:LAAVYEUJEMRIGF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7869 ;
dbo:casNumber "107-40-4" ;
dbo:formula "C8H16" ;
dbo:inchi "InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h6H,1-5H3" ;
dbo:iupacName "2,4,4-Trimethylpent-2-ene"@en ;
dbo:pubchem "7869"^^xsd:int ;
dbo:smiles "CC(=CC(C)(C)C)C" ;
dbp:inchikey "InChIKey=LAAVYEUJEMRIGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "244TC1y2C5e" ;
skos:prefLabel "2,4,4-trimethyl-2-penteen"@nl .
csc:CNCOEDDPFOAUMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13543 ;
dbo:casNumber "90456-67-0" , "194091-52-6" , "924-42-5" , "176598-18-8" , "160278-55-7" ;
dbo:formula "C4H7NO2" ;
dbo:inchi "InChI=1S/C4H7NO2/c1-2-4(7)5-3-6/h2,6H,1,3H2,(H,5,7)" ;
dbo:iupacName "N-(hydroxymethyl)prop-2-enamide"@en ;
dbo:pubchem "13543"^^xsd:int ;
dbo:smiles "C=CC(=O)NCO" ;
dbp:inchikey "InChIKey=CNCOEDDPFOAUMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004450 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1olacAd" ;
skos:prefLabel "methanolacrylamide"@nl .
csc:FDQQNNZKEJIHMS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10696 ;
dbo:casNumber "527-54-8" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-6-4-9(10)5-7(2)8(6)3/h4-5,10H,1-3H3" ;
dbo:iupacName "3,4,5-Trimethylphenol"@en ;
dbo:pubchem "10696"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1C)C)O" ;
dbp:inchikey "InChIKey=FDQQNNZKEJIHMS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "345TC1yFol" ;
skos:prefLabel "3,4,5-trimethylfenol"@nl .
csc:JVZREVRTMWNFME-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80210 ;
dbo:casNumber "80856-39-9" , "375-85-9" , "6130-43-4" ;
dbo:formula "C7H4F13NO2" ;
dbo:inchi "InChI=1S/C7HF13O2.H3N/c8-2(9,1(21)22)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)20;/h(H,21,22);1H3" ;
dbo:iupacName "azane; 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid"@en ;
dbo:pubchem "80210"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O.N" ;
dbp:inchikey "InChIKey=JVZREVRTMWNFME-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-heptaanzuur"@nl , "perfluorheptaanzuur"@nl , "perfluorheptaanzuur (pfhpa)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFHpA" ;
skos:prefLabel "perfluor-n-heptaanzuur (pfhpa)"@nl .
csc:NWLUZGJDEZBBRH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19920 ;
dbo:casNumber "126753-03-5" , "4016-14-2" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2-(propan-2-yloxymethyl)oxirane"@en ;
dbo:pubchem "19920"^^xsd:int ;
dbo:smiles "CC(C)OCC1CO1" ;
dbp:inchikey "InChIKey=NWLUZGJDEZBBRH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yDgcdE" ;
skos:prefLabel "iso-propylglycidylether"@nl .
csc:BXWNKGSJHAJOGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2682 ;
dbo:casNumber "55069-45-9" , "36653-82-4" , "8014-51-5" , "8032-89-1" , "124-29-8" , "8023-37-8" , "8032-16-4" , "36311-34-9" , "8032-17-5" ;
dbo:formula "C16H34O" ;
dbo:inchi "InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3" ;
dbo:iupacName "Hexadecan-1-ol"@en ;
dbo:pubchem "2682"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCO" ;
dbp:inchikey "InChIKey=BXWNKGSJHAJOGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002951 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16ol" ;
skos:prefLabel "1-hexadecanol"@nl .
csc:JRBJSXQPQWSCCF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8411 ;
dbo:casNumber "119-90-4" , "59777-10-5" ;
dbo:formula "C14H16N2O2" ;
dbo:inchi "InChI=1S/C14H16N2O2/c1-17-13-7-9(3-5-11(13)15)10-4-6-12(16)14(8-10)18-2/h3-8H,15-16H2,1-2H3" ;
dbo:iupacName "4-(4-amino-3-methoxyphenyl)-2-methoxyaniline"@en ;
dbo:pubchem "8411"^^xsd:int ;
dbo:smiles "COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)OC)N" ;
dbp:inchikey "InChIKey=JRBJSXQPQWSCCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003956 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1oxbzdne" ;
skos:prefLabel "3,3'-dimethoxybenzidine"@nl .
csc:NFCRBQADEGXVDL-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:22324 ;
dbo:casNumber "6004-24-6" ;
dbo:formula "C21H40ClNO" ;
dbo:inchi "InChI=1S/C21H38N.ClH.H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H;1H2/q+1;;/p-1" ;
dbo:iupacName "1-hexadecylpyridin-1-ium chloride hydrate"@en ;
dbo:pubchem "22324"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.O.[Cl-]" ;
dbp:inchikey "InChIKey=NFCRBQADEGXVDL-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001764 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C16yprdnClH" ;
skos:prefLabel "1-hexadecylpyridinium chloride monohydraat"@nl .
csc:NWBJYWHLCVSVIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62389 ;
dbo:casNumber "3458-19-3" , "1214-39-7" , "124786-41-0" ;
dbo:formula "C12H11N5" ;
dbo:inchi "InChI=1S/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)" ;
dbo:iupacName "N-(phenylmethyl)-7H-purin-6-amine"@en ;
dbo:pubchem "62389"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CNC2=NC=NC3=C2NC=N3" ;
dbp:inchikey "InChIKey=NWBJYWHLCVSVIJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003454 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzadnne" ;
skos:prefLabel "benzyladenine"@nl .
csc:FWCBATIDXGJRMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:72085 ;
dbo:casNumber "28300-95-0" , "49813-52-7" , "131400-21-0" , "136881-53-3" , "64040-42-2" , "59795-40-3" , "129607-69-8" , "3768-13-6" , "27708-72-1" , "36058-05-6" , "26996-98-5" , "18467-77-1" , "72349-14-5" ;
dbo:formula "C12H18O7" ;
dbo:inchi "InChI=1S/C12H18O7/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8/h6-8H,5H2,1-4H3,(H,13,14)" ;
dbo:iupacName "4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid"@en ;
dbo:pubchem "72085"^^xsd:int ;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C" ;
dbp:inchikey "InChIKey=FWCBATIDXGJRMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004472 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dikglc" ;
skos:prefLabel "dikegulac"@nl .
csc:ZNPSUQQXTRRSBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26975 ;
dbo:casNumber "65916-15-6" , "14938-35-3" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9,12H,2-5H2,1H3" ;
dbo:iupacName "4-PENTYLPHENOL"@en ;
dbo:pubchem "26975"^^xsd:int ;
dbo:smiles "CCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=ZNPSUQQXTRRSBM-UHFFFAOYSA-N" ;
skos:altLabel "4-n-pentylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C5yFt" ;
skos:prefLabel "4-pentylfenol"@nl .
csc:HYWZIAVPBSTISZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67636 ;
dbo:casNumber "335-77-3" ;
dbo:formula "C10HF21O3S" ;
dbo:inchi "InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid"@en ;
dbo:pubchem "67636"^^xsd:int ;
dbo:smiles "C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=HYWZIAVPBSTISZ-UHFFFAOYSA-N" ;
skos:altLabel "perfluordecaansulfonzuur (pfds)"@nl , "perfluor-n-decaansulfonzuur (pfds)"@nl , "perfluor-1-decaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFDS" ;
skos:prefLabel "perfluor-n-decaansulfonzuur"@nl .
csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91693 ;
dbo:casNumber "87501-25-5" , "66246-88-6" ;
dbo:formula "C13H15Cl2N3" ;
dbo:inchi "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole"@en ;
dbo:pubchem "91693"^^xsd:int ;
dbo:smiles "CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=WKBPZYKAUNRMKP-UHFFFAOYSA-N" ;
skos:altLabel "penconazool"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_66246-88-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pencnzl" ;
skos:prefLabel "penconazole"@nl ;
vcs:vmmParameterId "1031"^^xsd:int .
csc:TVFJAZCVMOXQRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:162097 ;
dbo:casNumber "51000-52-3" , "17756-73-9" ;
dbo:formula "C12H22O2" ;
dbo:inchi "InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3" ;
dbo:iupacName "ethenyl 7,7-dimethyloctanoate"@en ;
dbo:pubchem "162097"^^xsd:int ;
dbo:smiles "CC(C)(C)CCCCCC(=O)OC=C" ;
dbp:inchikey "InChIKey=TVFJAZCVMOXQRK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "neoC10azetnE" ;
skos:prefLabel "neodecaanzuur ethenylester"@nl .
csc:CKDDRHZIAZRDBW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16898 ;
dbo:casNumber "2363-71-5" ;
dbo:formula "C21H42O2" ;
dbo:inchi "InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)" ;
dbo:iupacName "Henicosanoic acid"@en ;
dbo:pubchem "16898"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=CKDDRHZIAZRDBW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C21azr" ;
skos:prefLabel "heneicosaanzuur"@nl .
csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7594 ;
dbo:casNumber "39291-21-9" , "55556-10-0" , "102-06-7" , "25323-69-7" , "33505-70-3" ;
dbo:formula "C13H13N3" ;
dbo:inchi "InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)" ;
dbo:iupacName "1,2-di(phenyl)guanidine"@en ;
dbo:pubchem "7594"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N" ;
dbp:inchikey "InChIKey=OWRCNXZUPFZXOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DFygandne" ;
skos:prefLabel "1,3-difenylguanidine"@nl .
csc:RCFAHSGZAAFQJH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:102877 ;
dbo:casNumber "2769-94-0" , "25640-70-4" ;
dbo:formula "C22H22O" ;
dbo:inchi "InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3" ;
dbo:iupacName "2,4-Bis(1-phenylethyl)phenol"@en ;
dbo:pubchem "102877"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=RCFAHSGZAAFQJH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002651 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24bis1FyC2yF" ;
skos:prefLabel "2,4-bis(1-fenylethyl)fenol"@nl .
csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6478 ;
dbo:casNumber "77-47-4" ;
dbo:formula "C5Cl6" ;
dbo:inchi "InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8" ;
dbo:iupacName "1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene"@en ;
dbo:pubchem "6478"^^xsd:int ;
dbo:smiles "C1(=C(C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=VUNCWTMEJYMOOR-UHFFFAOYSA-N" ;
skos:altLabel "hexachloorcyclopentadieen (hccpd)"@nl , "hexachloorcyclopentadieen (HCCPD)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_77-47-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCCPD" ;
skos:prefLabel "hexachloorcyclopentadieen"@nl ;
vcs:vmmParameterId "380"^^xsd:int .
csc:XNYGOEGATLFFOX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31341 ;
dbo:casNumber "126-15-8" ;
dbo:formula "C13H16O2" ;
dbo:inchi "InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2" ;
dbo:iupacName "4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde"@en ;
dbo:pubchem "31341"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C3CC=CCC3(O2)C=O" ;
dbp:inchikey "InChIKey=XNYGOEGATLFFOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002648 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisC4yeT4HfA" ;
skos:prefLabel "bis(butyleen)tetrahydrofuraldehyde"@nl .
csc:GGNLTHFTYNDYNK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16773 ;
dbo:casNumber "2275-14-1" ;
dbo:formula "C11H15Cl2O2PS3" ;
dbo:inchi "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3" ;
dbo:iupacName "(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "16773"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=GGNLTHFTYNDYNK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "febktn" ;
skos:prefLabel "fenkapton"@nl .
csc:WFDXOXNFNRHQEC-GHRIWEEISA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3034285 ;
dbo:casNumber "215934-32-0" , "131860-33-8" ;
dbo:formula "C22H17N3O5" ;
dbo:inchi "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+" ;
dbo:iupacName "methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate"@en ;
dbo:pubchem "3034285"^^xsd:int ;
dbo:smiles "COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC" ;
dbp:inchikey "InChIKey=WFDXOXNFNRHQEC-GHRIWEEISA-N" ;
skos:broader csc:CHEMONTID_0004203 ;
skos:exactMatch wise:CAS_131860-33-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azoxsbn" ;
skos:prefLabel "azoxystrobin"@nl ;
vcs:vmmParameterId "974"^^xsd:int .
csc:RZVHIXYEVGDQDX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6780 ;
dbo:casNumber "790240-52-7" , "84-65-1" ;
dbo:formula "C14H8O2" ;
dbo:inchi "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H" ;
dbo:iupacName "anthracene-9,10-dione"@en ;
dbo:pubchem "6780"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O" ;
dbp:inchikey "InChIKey=RZVHIXYEVGDQDX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "antcnn" ;
skos:prefLabel "antrachinon"@nl .
csc:VNENJHUOPQAPAT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108227 ;
dbo:casNumber "948-71-0" ;
dbo:formula "C10H7N3OS" ;
dbo:inchi "InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)" ;
dbo:iupacName "2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol"@en ;
dbo:pubchem "108227"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3" ;
dbp:inchikey "InChIKey=VNENJHUOPQAPAT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5HOxtabdzle" ;
skos:prefLabel "5-hydroxythiabendazole"@nl .
csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:441341 ;
dbo:casNumber "102767-28-2" ;
dbo:formula "C8H14N2O2" ;
dbo:inchi "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1" ;
dbo:iupacName "(2R)-2-(2-oxopyrrolidin-1-yl)butanamide"@en ;
dbo:pubchem "441341"^^xsd:int ;
dbo:smiles "CCC(C(=O)N)N1CCCC1=O" ;
dbp:inchikey "InChIKey=HPHUVLMMVZITSG-ZCFIWIBFSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "levtrctm" ;
skos:prefLabel "levetiracetam"@nl .
csc:OSCXYTRISGREIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:80076 ;
dbo:casNumber "5976-47-6" ;
dbo:formula "C3H5ClO" ;
dbo:inchi "InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2" ;
dbo:iupacName "2-chloroprop-2-en-1-ol"@en ;
dbo:pubchem "80076"^^xsd:int ;
dbo:smiles "C=C(CO)Cl" ;
dbp:inchikey "InChIKey=OSCXYTRISGREIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002608 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl2C3eol" ;
skos:prefLabel "2-chloor-2-propeen-ol"@nl .
csc:ZLCUIOWQYBYEBG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6702 ;
dbo:casNumber "82-28-0" ;
dbo:formula "C15H11NO2" ;
dbo:inchi "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3" ;
dbo:iupacName "1-amino-2-methylanthracene-9,10-dione"@en ;
dbo:pubchem "6702"^^xsd:int ;
dbo:smiles "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N" ;
dbp:inchikey "InChIKey=ZLCUIOWQYBYEBG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Ao2C1yatqnn" ;
skos:prefLabel "1-amino-2-methylanthraquinon"@nl .
csc:QZHDEAJFRJCDMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:67734 ;
dbo:casNumber "355-46-4" ;
dbo:formula "C6HF13O3S" ;
dbo:inchi "InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)" ;
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid"@en ;
dbo:pubchem "67734"^^xsd:int ;
dbo:smiles "C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=QZHDEAJFRJCDMF-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-hexaansulfonzuur (pfhxs)"@nl , "perfluor-n-hexaansulfonzuur"@nl , "perfluorhexaansulfonzuur"@nl ;
skos:broader csc:CHEMONTID_0003961 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "L_PFHxS" ;
skos:prefLabel "perfluorhexaansulfonzuur (pfhxs)"@nl .
csc:MLUCVPSAIODCQM-NSCUHMNNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:447466 ;
dbo:casNumber "15798-64-8" , "123-73-9" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" ;
dbo:iupacName "(E)-but-2-enal"@en ;
dbo:pubchem "447466"^^xsd:int ;
dbo:smiles "CC=CC=O" ;
dbp:inchikey "InChIKey=MLUCVPSAIODCQM-NSCUHMNNSA-N" ;
skos:altLabel "trans-2-butenal"@nl ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c2C4eal" , "crotAh" ;
skos:prefLabel "cis-2-butenal"@nl .
csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25550 ;
dbo:casNumber "12407-86-2" , "2655-15-4" , "58784-13-7" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(2,3,5-trimethylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "25550"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)OC(=O)NC)C)C" ;
dbp:inchikey "InChIKey=NYOKZHDTNBDPOB-UHFFFAOYSA-N" ;
skos:altLabel "2,3,5-trimethacarb"@nl ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "235Tmtcb" , "landn" ;
skos:prefLabel "landrin"@nl .
csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25135 ;
dbo:casNumber "31012-04-1" , "10294-34-5" , "37226-51-0" ;
dbo:formula "BCl3" ;
dbo:inchi "InChI=1S/BCl3/c2-1(3)4" ;
dbo:iupacName "Trichloroborane"@en ;
dbo:pubchem "25135"^^xsd:int ;
dbo:smiles "B(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=FAQYAMRNWDIXMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000583 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BTCl" ;
skos:prefLabel "boortrichloride"@nl .
csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5975 ;
dbo:casNumber "57-12-5" , "373-51-3" ;
dbo:formula "CN-" ;
dbo:inchi "InChI=1S/CN/c1-2/q-1" ;
dbo:iupacName "Cyanide"@en ;
dbo:pubchem "5975"^^xsd:int ;
dbo:smiles "[C-]#N" ;
dbp:inchikey "InChIKey=XFXPMWWXUTWYJX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:CMA_2_I_C.2.3 , co:WAC_III_C_030 , co:WAC_III_D_036 , co:CMA_2_I_C.2.1 , co:CMA_2_I_C.2.2 ;
skos:broader csc:CHEMONTID_0000553 ;
skos:exactMatch wise:CAS_57-12-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CN" ;
skos:prefLabel "cyanide"@nl ;
vcs:vmmParameterId "487"^^xsd:int , "26"^^xsd:int , "527"^^xsd:int , "488"^^xsd:int , "1195"^^xsd:int , "905"^^xsd:int .
csc:XERJKGMBORTKEO-VZUCSPMQSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5364079 ;
dbo:casNumber "93195-85-8" , "57966-95-7" ;
dbo:formula "C7H10N4O3" ;
dbo:inchi "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+" ;
dbo:iupacName "2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide"@en ;
dbo:pubchem "5364079"^^xsd:int ;
dbo:smiles "CCNC(=O)NC(=O)C(=NOC)C#N" ;
dbp:inchikey "InChIKey=XERJKGMBORTKEO-VZUCSPMQSA-N" ;
skos:broader csc:CHEMONTID_0001010 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cymOanl" ;
skos:prefLabel "cymoxanil"@nl .
csc:DAASOABUJRMZAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15583 ;
dbo:casNumber "1715-40-8" ;
dbo:formula "C8H5BrCl6" ;
dbo:inchi "InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2" ;
dbo:iupacName "6-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene"@en ;
dbo:pubchem "15583"^^xsd:int ;
dbo:smiles "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CBr" ;
dbp:inchikey "InChIKey=DAASOABUJRMZAD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Brccn" ;
skos:prefLabel "bromocyclen"@nl .
csc:GBIHOLCMZGAKNG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:50980 ;
dbo:casNumber "70124-77-5" , "71611-31-9" ;
dbo:formula "C26H23F2NO4" ;
dbo:inchi "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate"@en ;
dbo:pubchem "50980"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=GBIHOLCMZGAKNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluctnt" ;
skos:prefLabel "flucythrinaat"@nl .
csc:JIAARYAFYJHUJI-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5727 ;
dbo:casNumber "53917-99-0" , "7646-85-7" ;
dbo:formula "Cl2Zn" ;
dbo:inchi "InChI=1S/2ClH.Zn/h2*1H;/q;;+2/p-2" ;
dbo:iupacName "['Zinc dichloride', 'dichlorozinc']"@en ;
dbo:pubchem "5727"^^xsd:int ;
dbo:smiles "Cl[Zn]Cl" ;
dbp:inchikey "InChIKey=JIAARYAFYJHUJI-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000588 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ZnCl" ;
skos:prefLabel "zinkchloride"@nl .
csc:IVJISJACKSSFGE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93374 ;
dbo:casNumber "59588-07-7" , "68002-21-1" , "68955-24-8" , "68002-24-4" , "68037-27-4" , "68002-20-0" , "68036-97-5" , "68511-75-1" , "59588-08-8" , "68511-73-9" , "68002-25-5" ;
dbo:formula "C4H8N6O" ;
dbo:inchi "InChI=1S/C3H6N6.CH2O/c4-1-7-2(5)9-3(6)8-1;1-2/h(H6,4,5,6,7,8,9);1H2" ;
dbo:iupacName "formaldehyde; 1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "93374"^^xsd:int ;
dbo:smiles "C=O.C1(=NC(=NC(=N1)N)N)N" ;
dbp:inchikey "InChIKey=IVJISJACKSSFGE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001831 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "melmnplmmfAh" ;
skos:prefLabel "melamine, polymeer met formaldehyde en methanol"@nl .
csc:YBGZDTIWKVFICR-JLHYYAGUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355130 ;
dbo:casNumber "155867-04-2" , "5466-77-3" ;
dbo:formula "C18H26O3" ;
dbo:inchi "InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+" ;
dbo:iupacName "['2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate', '2-ethylhexyl (E)-3-(4-methoxyphenyl)prop-2-enoate']"@en ;
dbo:pubchem "5355130"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C=CC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=YBGZDTIWKVFICR-JLHYYAGUSA-N" ;
skos:altLabel "2-ethylhexyl-4-methoxycinnamaat"@nl ;
skos:broader csc:CHEMONTID_0003480 ;
skos:exactMatch wise:CAS_5466-77-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6y4C1ox" ;
skos:prefLabel "octinoxaat"@nl ;
vcs:vmmParameterId "1515"^^xsd:int .
csc:PLGQWYOULXPJRE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17683 ;
dbo:casNumber "2753-45-9" , "3625-06-7" ;
dbo:formula "C25H36ClNO5" ;
dbo:inchi "InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H" ;
dbo:iupacName "['4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate; hydron; chloride', '4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate hydrochloride']"@en ;
dbo:pubchem "17683"^^xsd:int ;
dbo:smiles "CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl" ;
dbp:inchikey "InChIKey=PLGQWYOULXPJRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002346 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebvrnHCL" ;
skos:prefLabel "mebeverine hydrochloride"@nl .
csc:ZPEIMTDSQAKGNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2726 ;
dbo:casNumber "34468-21-8" , "50-53-3" ;
dbo:formula "C17H19ClN2S" ;
dbo:inchi "InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3" ;
dbo:iupacName "3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "2726"^^xsd:int ;
dbo:smiles "CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=ZPEIMTDSQAKGNT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000310 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpmzne" ;
skos:prefLabel "chloorpromazine"@nl .
csc:LRTFPLFDLJYEKT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7464 ;
dbo:casNumber "99-88-7" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3" ;
dbo:iupacName "4-propan-2-ylaniline"@en ;
dbo:pubchem "7464"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=LRTFPLFDLJYEKT-UHFFFAOYSA-N" ;
skos:altLabel "4-isopropylaniline (Cumidine)"@nl ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4iC3yAn" ;
skos:prefLabel "4-isopropylaniline (cumidine)"@nl .
csc:SATCULPHIDQDRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8438 ;
dbo:casNumber "30024-74-9" , "120-57-0" ;
dbo:formula "C8H6O3" ;
dbo:inchi "InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2" ;
dbo:iupacName "1,3-benzodioxole-5-carbaldehyde"@en ;
dbo:pubchem "8438"^^xsd:int ;
dbo:smiles "C1OC2=C(O1)C=C(C=C2)C=O" ;
dbp:inchikey "InChIKey=SATCULPHIDQDRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piprnl" ;
skos:prefLabel "piperonal"@nl .
csc:DNZXWDUPPLHSQL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:33793 ;
dbo:casNumber "27360-58-3" ;
dbo:formula "C12H10HgO2" ;
dbo:inchi "InChI=1S/C6H5O2.C6H5.Hg/c7-5-2-1-3-6(8)4-5;1-2-4-6-5-3-1;/h1-2,4,7-8H;1-5H;" ;
dbo:iupacName "(2,4-dihydroxyphenyl)-phenylmercury"@en ;
dbo:pubchem "33793"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)[Hg]C2=C(C=C(C=C2)O)O" ;
dbp:inchikey "InChIKey=DNZXWDUPPLHSQL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oFyHgOxFol" ;
skos:prefLabel "o-(fenylkwikoxy)fenol"@nl .
csc:SNIOPGDIGTZGOP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4510 ;
dbo:casNumber "80066-48-4" , "55-63-0" , "105469-31-6" , "8013-23-8" , "9010-02-0" ;
dbo:formula "C3H5N3O9" ;
dbo:inchi "InChI=1S/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2" ;
dbo:iupacName "1,3-dinitrooxypropan-2-yl nitrate"@en ;
dbo:pubchem "4510"^^xsd:int ;
dbo:smiles "C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SNIOPGDIGTZGOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2gcrne" ;
skos:prefLabel "nitroglycerine"@nl .
csc:HAPOJKSPCGLOOD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9201 ;
dbo:casNumber "243-17-4" , "30777-19-6" ;
dbo:formula "C17H12" ;
dbo:inchi "InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2" ;
dbo:iupacName "11H-Benzo[b]fluorene"@en ;
dbo:pubchem "9201"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2C3=CC4=CC=CC=C4C=C31" ;
dbp:inchikey "InChIKey=HAPOJKSPCGLOOD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000020 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BbFle" ;
skos:prefLabel "benzo(b)fluoreen"@nl .
csc:GDIIPKWHAQGCJF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8390 ;
dbo:casNumber "119-32-4" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "4-Methyl-3-nitroaniline"@en ;
dbo:pubchem "8390"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=GDIIPKWHAQGCJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y3NO2An" ;
skos:prefLabel "4-methyl-3-nitroaniline"@nl .
csc:DDTBPAQBQHZRDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9268 ;
dbo:casNumber "294-62-2" , "46133-53-3" ;
dbo:formula "C12H24" ;
dbo:inchi "InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2" ;
dbo:iupacName "CYCLODODECANE"@en ;
dbo:pubchem "9268"^^xsd:int ;
dbo:smiles "C1CCCCCCCCCCC1" ;
dbp:inchikey "InChIKey=DDTBPAQBQHZRDW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycC12a" ;
skos:prefLabel "cyclododecaan"@nl .
csc:JUZXDNPBRPUIOR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13837 ;
dbo:casNumber "7003-89-6" ;
dbo:formula "C5H13ClN+" ;
dbo:inchi "InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1" ;
dbo:iupacName "2-chloroethyl-trimethylazanium"@en ;
dbo:pubchem "13837"^^xsd:int ;
dbo:smiles "C[N+](C)(C)CCCl" ;
dbp:inchikey "InChIKey=JUZXDNPBRPUIOR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clmqat" ;
skos:prefLabel "chloormequat"@nl .
csc:RLPCJGKQKFMBEI-UOBLTHIJSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:72492 ;
dbo:casNumber "7060-74-4" ;
dbo:formula "C35H64NO16P" ;
dbo:inchi "InChI=1S/C35H61NO12.H3O4P/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34;1-5(2,3)4/h16-31,34,37-39H,12-15H2,1-11H3;(H3,1,2,3,4)/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+;/m0./s1" ;
dbo:iupacName "(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione; phosphoric acid"@en ;
dbo:pubchem "72492"^^xsd:int ;
dbo:smiles "CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C.OP(=O)(O)O" ;
dbp:inchikey "InChIKey=RLPCJGKQKFMBEI-UOBLTHIJSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oladmcnPO4" ;
skos:prefLabel "oleandomycinefosfaat"@nl .
csc:ZWRUINPWMLAQRD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8914 ;
dbo:casNumber "143-08-8" , "28473-21-4" ;
dbo:formula "C9H20O" ;
dbo:inchi "InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3" ;
dbo:iupacName "Nonan-1-ol"@en ;
dbo:pubchem "8914"^^xsd:int ;
dbo:smiles "CCCCCCCCCO" ;
dbp:inchikey "InChIKey=ZWRUINPWMLAQRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C9ol" ;
skos:prefLabel "1-nonanol"@nl .
csc:BKVIYDNLLOSFOA-OIOBTWANSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5461982 ;
dbo:casNumber "15064-65-0" ;
dbo:formula "Tl" ;
dbo:inchi "InChI=1S/Tl/i1-3" ;
dbo:iupacName "thallium-201"@en ;
dbo:pubchem "5461982"^^xsd:int ;
dbo:smiles "[Tl]" ;
dbp:inchikey "InChIKey=BKVIYDNLLOSFOA-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tl201" ;
skos:prefLabel "thallium 201"@nl .
csc:ONMOULMPIIOVTQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7387 ;
dbo:casNumber "98-47-5" ;
dbo:formula "C6H5NO5S" ;
dbo:inchi "InChI=1S/C6H5NO5S/c8-7(9)5-2-1-3-6(4-5)13(10,11)12/h1-4H,(H,10,11,12)" ;
dbo:iupacName "3-NITROBENZENESULFONIC ACID"@en ;
dbo:pubchem "7387"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)S(=O)(=O)O)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=ONMOULMPIIOVTQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Bensfzr" ;
skos:prefLabel "3-nitrobenzeensulfonzuur"@nl .
csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7150 ;
dbo:casNumber "93-58-3" ;
dbo:formula "C8H8O2" ;
dbo:inchi "InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "Methyl benzoate"@en ;
dbo:pubchem "7150"^^xsd:int ;
dbo:smiles "COC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=QPJVMBTYPHYUOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "methylbenzoaat"@nl .
csc:NFACJZMKEDPNKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5853 ;
dbo:casNumber "66758-31-4" , "37333-09-8" , "50924-44-2" , "52-68-6" , "56042-25-2" ;
dbo:formula "C4H8Cl3O4P" ;
dbo:inchi "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3" ;
dbo:iupacName "['hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium', '2,2,2-trichloro-1-dimethoxyphosphorylethanol']"@en ;
dbo:pubchem "5853"^^xsd:int ;
dbo:smiles "COP(=O)(C(C(Cl)(Cl)Cl)O)OC" ;
dbp:inchikey "InChIKey=NFACJZMKEDPNKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004482 ;
skos:exactMatch wise:CAS_52-68-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TClfn" ;
skos:prefLabel "trichloorfon"@nl ;
vcs:vmmParameterId "407"^^xsd:int .
csc:OJGMBLNIHDZDGS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7670 ;
dbo:casNumber "103-69-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-2-9-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3" ;
dbo:iupacName "N-Ethylaniline"@en ;
dbo:pubchem "7670"^^xsd:int ;
dbo:smiles "CCNC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=OJGMBLNIHDZDGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yAn" ;
skos:prefLabel "ethylaniline"@nl .
csc:GEPDYQSQVLXLEU-AATRIKPKSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5355863 ;
dbo:casNumber "243464-31-5" , "26718-65-0" , "298-01-1" , "7786-34-7" ;
dbo:formula "C7H13O6P" ;
dbo:inchi "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+" ;
dbo:iupacName "['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate']"@en ;
dbo:pubchem "5355863"^^xsd:int ;
dbo:smiles "CC(=CC(=O)OC)OP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=GEPDYQSQVLXLEU-AATRIKPKSA-N" ;
skos:altLabel "cis-mevinfos"@nl ;
skos:broader csc:CHEMONTID_0000324 ;
skos:exactMatch wise:CAS_7786-34-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mevfs" , "cmevfs" ;
skos:prefLabel "mevinfos"@nl ;
vcs:vmmParameterId "392"^^xsd:int .
csc:BAUYGSIQEAFULO-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24393 ;
dbo:casNumber "56172-58-8" , "7720-78-7" , "8063-79-4" , "8060-18-2" , "139939-63-2" , "16547-58-3" ;
dbo:formula "FeO4S" ;
dbo:inchi "InChI=1S/Fe.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2" ;
dbo:iupacName "iron(+2) cation sulfate"@en ;
dbo:pubchem "24393"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[Fe+2]" ;
dbp:inchikey "InChIKey=BAUYGSIQEAFULO-UHFFFAOYSA-L" ;
skos:altLabel "ijzer(II)sulfaat"@nl ;
skos:broader csc:CHEMONTID_0000858 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeSO4" ;
skos:prefLabel "ijzer(ii)sulfaat"@nl .
csc:JDRFUUBRGGDEIZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16811 ;
dbo:casNumber "136365-67-8" , "2300-66-5" ;
dbo:formula "C10H13Cl2NO3" ;
dbo:inchi "InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3" ;
dbo:iupacName "3,6-dichloro-2-methoxybenzoic acid; N-methylmethanamine"@en ;
dbo:pubchem "16811"^^xsd:int ;
dbo:smiles "CNC.COC1=C(C=CC(=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=JDRFUUBRGGDEIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002345 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yAeDcba" ;
skos:prefLabel "dimethylamine dicamba"@nl .
csc:IZUKQUVSCNEFMJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10707 ;
dbo:casNumber "528-29-0" ;
dbo:formula "C6H4N2O4" ;
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H" ;
dbo:iupacName "1,2-Dinitrobenzene"@en ;
dbo:pubchem "10707"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=IZUKQUVSCNEFMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DNO2Ben" ;
skos:prefLabel "1,2-dinitrobenzeen"@nl .
csc:YGPVLXJHRFZYJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:28458 ;
dbo:casNumber "17302-32-8" ;
dbo:formula "C11H24" ;
dbo:inchi "InChI=1S/C11H24/c1-5-10(3)8-7-9-11(4)6-2/h10-11H,5-9H2,1-4H3" ;
dbo:iupacName "3,7-DIMETHYLNONANE"@en ;
dbo:pubchem "28458"^^xsd:int ;
dbo:smiles "CCC(C)CCCC(C)CC" ;
dbp:inchikey "InChIKey=YGPVLXJHRFZYJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "37DC1yC9a" ;
skos:prefLabel "3,7-dimethylnonaan"@nl .
csc:VJFUPGQZSXIULQ-XIGJTORUSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5281555 ;
dbo:casNumber "121-29-9" ;
dbo:formula "C22H28O5" ;
dbo:inchi "InChI=1S/C22H28O5/c1-7-8-9-10-15-14(3)18(12-17(15)23)27-21(25)19-16(22(19,4)5)11-13(2)20(24)26-6/h7-9,11,16,18-19H,1,10,12H2,2-6H3/b9-8-,13-11+/t16-,18+,19+/m1/s1" ;
dbo:iupacName "[(1S)-2-methyl-4-oxo-3-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enyl] (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "5281555"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C" ;
dbp:inchikey "InChIKey=VJFUPGQZSXIULQ-XIGJTORUSA-N" ;
skos:altLabel "pyrethrin ii"@nl ;
skos:broader csc:CHEMONTID_0001724 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrtnII" ;
skos:prefLabel "pyrethrin II"@nl .
csc:FXHOOIRPVKKKFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31374 ;
dbo:casNumber "127-19-5" ;
dbo:formula "C4H9NO" ;
dbo:inchi "InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3" ;
dbo:iupacName "N,N-Dimethylacetamide"@en ;
dbo:pubchem "31374"^^xsd:int ;
dbo:smiles "CC(=O)N(C)C" ;
dbp:inchikey "InChIKey=FXHOOIRPVKKKFG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yacAd" ;
skos:prefLabel "dimethylacetamide"@nl .
csc:KRMDCWKBEZIMAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2160 ;
dbo:casNumber "50-48-6" , "30227-34-0" ;
dbo:formula "C20H23N" ;
dbo:inchi "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3" ;
dbo:iupacName "N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine"@en ;
dbo:pubchem "2160"^^xsd:int ;
dbo:smiles "CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31" ;
dbp:inchikey "InChIKey=KRMDCWKBEZIMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amttlne" ;
skos:prefLabel "amitriptyline"@nl .
csc:NIWWFAAXEMMFMS-AHCXROLUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:105155 ;
dbo:casNumber "15757-87-6" ;
dbo:formula "Cm" ;
dbo:inchi "InChI=1S/Cm/i1-4" ;
dbo:iupacName "curium-243"@en ;
dbo:pubchem "105155"^^xsd:int ;
dbo:smiles "[Cm]" ;
dbp:inchikey "InChIKey=NIWWFAAXEMMFMS-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cm243" ;
skos:prefLabel "curium 243"@nl .
csc:YFVOXLJXJBQDEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:90479 ;
dbo:casNumber "24353-61-5" , "39284-27-0" ;
dbo:formula "C11H16NO4PS" ;
dbo:inchi "InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)" ;
dbo:iupacName "propan-2-yl 2-(amino-methoxyphosphinothioyl)oxybenzoate"@en ;
dbo:pubchem "90479"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C1=CC=CC=C1OP(=S)(N)OC" ;
dbp:inchikey "InChIKey=YFVOXLJXJBQDEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "icbfs" ;
skos:prefLabel "isocarbofos"@nl .
csc:YNPFMWCWRVTGKJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:68551 ;
dbo:casNumber "78644-54-9" , "21535-47-7" , "24219-97-4" ;
dbo:formula "C18H21ClN2" ;
dbo:inchi "InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H" ;
dbo:iupacName "5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene;hydrochloride"@en ;
dbo:pubchem "68551"^^xsd:int ;
dbo:smiles "CN1CCN2C(C1)C3=CC=CC=C3CC4=CC=CC=C42.Cl" ;
dbp:inchikey "InChIKey=YNPFMWCWRVTGKJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "miasrne" ;
skos:prefLabel "mianserine"@nl .
csc:OBSZRRSYVTXPNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:123286 ;
dbo:casNumber "12185-10-3" , "51273-58-6" ;
dbo:formula "P4" ;
dbo:inchi "InChI=1S/P4/c1-2-3(1)4(1)2" ;
dbo:iupacName "1,2,3,4-tetraphosphatricyclo[1.1.0.02,4]butane"@en ;
dbo:pubchem "123286"^^xsd:int ;
dbo:smiles "P12P3P1P23" ;
dbp:inchikey "InChIKey=OBSZRRSYVTXPNB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000434 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "P4" ;
skos:prefLabel "tetrafosfor"@nl .
csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7503 ;
dbo:casNumber "27987-13-9" , "25168-05-2" , "100-44-7" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c8-6-7-4-2-1-3-5-7/h1-5H,6H2" ;
dbo:iupacName "Chloromethylbenzene"@en ;
dbo:pubchem "7503"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCl" ;
dbp:inchikey "InChIKey=KCXMKQUNVWSEMD-UHFFFAOYSA-N" ;
skos:altLabel "alfa-chloortolueen"@nl , "alfa-chloortolueen (benzylchloride)"@nl , "α -chloortolueen"@nl , "benzylchloride"@nl ;
skos:broader csc:CHEMONTID_0003980 ;
skos:exactMatch wise:CAS_100-44-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzCl" ;
skos:prefLabel "α -chloortolueen "@nl ;
vcs:vmmParameterId "724"^^xsd:int .
csc:ZSLUVFAKFWKJRC-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:167210 ;
dbo:casNumber "14932-40-2" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-1" ;
dbo:iupacName "thorium-231"@en ;
dbo:pubchem "167210"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th231" ;
skos:prefLabel "thorium 231"@nl .
csc:FITZJYAVATZPMJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11390 ;
dbo:casNumber "581-75-9" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "Naphthalene-2,6-disulfonic acid"@en ;
dbo:pubchem "11390"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C=C1S(=O)(=O)O" ;
dbp:inchikey "InChIKey=FITZJYAVATZPMJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf26Dsfzr" ;
skos:prefLabel "naftaleen-2,6-disulfonzuur"@nl .
csc:SZEMGTQCPRNXEG-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:70708 ;
dbo:casNumber "1120-02-1" ;
dbo:formula "C21H46BrN" ;
dbo:inchi "InChI=1S/C21H46N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;/h5-21H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "trimethyl-octadecylazanium bromide"@en ;
dbo:pubchem "70708"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "InChIKey=SZEMGTQCPRNXEG-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC1yC18yNH4B" ;
skos:prefLabel "trimethyloctadecylammonium bromide"@nl .
csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7222 ;
dbo:casNumber "128366-28-9" , "95-16-9" ;
dbo:formula "C7H5NS" ;
dbo:inchi "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H" ;
dbo:iupacName "1,3-benzothiazole"@en ;
dbo:pubchem "7222"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=CS2" ;
dbp:inchikey "InChIKey=IOJUPLGTWVMSFF-UHFFFAOYSA-N" ;
skos:altLabel "benzothiazole"@nl ;
skos:broader csc:CHEMONTID_0000311 ;
skos:exactMatch wise:CAS_95-16-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benztazl" ;
skos:prefLabel "benzothiazool"@nl ;
vcs:vmmParameterId "1015"^^xsd:int .
csc:XLROVYAPLOFLNU-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:177681 ;
dbo:casNumber "15766-10-6" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1-1" ;
dbo:iupacName "protactinium-230"@en ;
dbo:pubchem "177681"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "InChIKey=XLROVYAPLOFLNU-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa230" ;
skos:prefLabel "protactinium 230"@nl .
csc:POAOYUHQDCAZBD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8133 ;
dbo:casNumber "111-76-2" , "9004-77-7" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-2-3-5-8-6-4-7/h7H,2-6H2,1H3" ;
dbo:iupacName "2-Butoxyethanol"@en ;
dbo:pubchem "8133"^^xsd:int ;
dbo:smiles "CCCCOCCO" ;
dbp:inchikey "InChIKey=POAOYUHQDCAZBD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_003 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C4oxC2ol" ;
skos:prefLabel "2-butoxyethanol"@nl .
csc:SEQDDYPDSLOBDC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5391 ;
dbo:casNumber "846-50-4" ;
dbo:formula "C16H13ClN2O2" ;
dbo:inchi "InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3" ;
dbo:iupacName "7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en ;
dbo:pubchem "5391"^^xsd:int ;
dbo:smiles "CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=SEQDDYPDSLOBDC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004097 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "temzpm" ;
skos:prefLabel "temazepam"@nl .
csc:ZSLUVFAKFWKJRC-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104875 ;
dbo:casNumber "15065-10-8" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1+2" ;
dbo:iupacName "thorium-234"@en ;
dbo:pubchem "104875"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th234" ;
skos:prefLabel "thorium 234"@nl .
csc:WLLGXSLBOPFWQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8227 ;
dbo:casNumber "113-48-4" ;
dbo:formula "C17H25NO2" ;
dbo:inchi "InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3" ;
dbo:iupacName "4-(2-ethylhexyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione"@en ;
dbo:pubchem "8227"^^xsd:int ;
dbo:smiles "CCCCC(CC)CN1C(=O)C2C3CC(C2C1=O)C=C3" ;
dbp:inchikey "InChIKey=WLLGXSLBOPFWQV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8ybccC7eDcb" ;
skos:prefLabel "octylbicyclohepteendicarboximide"@nl .
csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:25429 ;
dbo:casNumber "102040-01-7" , "63278-70-6" , "39413-19-9" , "63090-40-4" , "105268-95-9" , "10605-21-7" , "212384-28-6" , "59758-95-1" , "110342-67-1" , "37953-07-4" ;
dbo:formula "C9H9N3O2" ;
dbo:inchi "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)" ;
dbo:iupacName "methyl N-(1H-benzimidazol-2-yl)carbamate"@en ;
dbo:pubchem "25429"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=CC=CC=C2N1" ;
dbp:inchikey "InChIKey=TWFZGCMQGLPBSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:exactMatch wise:CAS_10605-21-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbdzm" ;
skos:prefLabel "carbendazim"@nl ;
vcs:vmmParameterId "800"^^xsd:int .
csc:SGEJQUSYQTVSIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14215 ;
dbo:casNumber "1114-71-2" ;
dbo:formula "C10H21NOS" ;
dbo:inchi "InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3" ;
dbo:iupacName "S-propyl (butyl-ethylamino)methanethioate"@en ;
dbo:pubchem "14215"^^xsd:int ;
dbo:smiles "CCCCN(CC)C(=O)SCCC" ;
dbp:inchikey "InChIKey=SGEJQUSYQTVSIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001368 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "peblt" ;
skos:prefLabel "pebulaat"@nl .
csc:BQFCCUSDZLKBJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:39253 ;
dbo:casNumber "42740-50-1" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,3,4,6-tetrachlorophenyl)benzene"@en ;
dbo:pubchem "39253"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BQFCCUSDZLKBJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB196" ;
skos:prefLabel "2,2',3,3',4,4',5,6'-octachloorbifenyl"@nl .
csc:OWZREIFADZCYQD-NSHGMRRFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40585 ;
dbo:casNumber "52918-63-5" , "55700-96-4" , "62229-77-0" ;
dbo:formula "C22H19Br2NO3" ;
dbo:inchi "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1" ;
dbo:iupacName "[(S)-cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "40585"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C" ;
dbp:inchikey "InChIKey=OWZREIFADZCYQD-NSHGMRRFSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dmtn" ;
skos:prefLabel "deltamethrin"@nl .
csc:VIROVYVQCGLCII-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2164 ;
dbo:casNumber "57-43-2" ;
dbo:formula "C11H18N2O3" ;
dbo:inchi "InChI=1S/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "2164"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)CCC(C)C" ;
dbp:inchikey "InChIKey=VIROVYVQCGLCII-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000291 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ambbtl" ;
skos:prefLabel "amobarbital"@nl .
csc:LOQQVLXUKHKNIA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91729 ;
dbo:casNumber "79277-67-1" ;
dbo:formula "C11H11N5O6S2" ;
dbo:inchi "InChI=1S/C11H11N5O6S2/c1-5-12-9(15-11(13-5)22-2)14-10(19)16-24(20,21)6-3-4-23-7(6)8(17)18/h3-4H,1-2H3,(H,17,18)(H2,12,13,14,15,16,19)" ;
dbo:iupacName "3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid"@en ;
dbo:pubchem "91729"^^xsd:int ;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=C(SC=C2)C(=O)O" ;
dbp:inchikey "InChIKey=LOQQVLXUKHKNIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004706 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thifsfrn" ;
skos:prefLabel "thifensulfuron"@nl .
csc:RQNWIZPPADIBDY-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6336622 ;
dbo:casNumber "15422-59-0" ;
dbo:formula "As" ;
dbo:inchi "InChI=1S/As/i1-2" ;
dbo:iupacName "arsenic-73"@en ;
dbo:pubchem "6336622"^^xsd:int ;
dbo:smiles "[As]" ;
dbp:inchikey "InChIKey=RQNWIZPPADIBDY-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "As73" ;
skos:prefLabel "arseen 73"@nl .
csc:XLROVYAPLOFLNU-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115129 ;
dbo:casNumber "13981-14-1" ;
dbo:formula "Pa" ;
dbo:inchi "InChI=1S/Pa/i1+2" ;
dbo:iupacName "protactinium-233"@en ;
dbo:pubchem "115129"^^xsd:int ;
dbo:smiles "[Pa]" ;
dbp:inchikey "InChIKey=XLROVYAPLOFLNU-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pa233" ;
skos:prefLabel "protactinium 233"@nl .
csc:YYJNOYZRYGDPNH-MFKUBSTISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9576412 ;
dbo:casNumber "134098-61-6" , "111812-58-9" ;
dbo:formula "C24H27N3O4" ;
dbo:inchi "InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+" ;
dbo:iupacName "tert-butyl 4-[[[1,3-dimethyl-5-(phenoxy)pyrazol-4-yl]methylideneamino]oxymethyl]benzoate"@en ;
dbo:pubchem "9576412"^^xsd:int ;
dbo:smiles "CC1=NN(C(=C1C=NOCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C" ;
dbp:inchikey "InChIKey=YYJNOYZRYGDPNH-MFKUBSTISA-N" ;
skos:broader csc:CHEMONTID_0002463 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenprxmt" ;
skos:prefLabel "fenpyroximaat"@nl .
csc:STJLVHWMYQXCPB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:43234 ;
dbo:casNumber "60207-90-1" , "75881-82-2" ;
dbo:formula "C15H17Cl2N3O2" ;
dbo:inchi "InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "43234"^^xsd:int ;
dbo:smiles "CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=STJLVHWMYQXCPB-UHFFFAOYSA-N" ;
skos:altLabel "propiconazol (som cis- en trans-)"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_60207-90-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propcnzl" ;
skos:prefLabel "propiconazol"@nl ;
vcs:vmmParameterId "1187"^^xsd:int .
csc:ANUCHZVCBDOPOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9177 ;
dbo:casNumber "224-42-0" ;
dbo:formula "C21H13N" ;
dbo:inchi "InChI=1S/C21H13N/c1-3-7-16-14(5-1)9-11-20-18(16)13-19-17-8-4-2-6-15(17)10-12-21(19)22-20/h1-13H" ;
dbo:iupacName "13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9177"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5C=C4" ;
dbp:inchikey "InChIKey=ANUCHZVCBDOPOX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbenzajacdne" ;
skos:prefLabel "dibenz(a,j)acridine"@nl .
csc:FDJQHYWUHGBBTO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38221 ;
dbo:casNumber "108066-98-4" , "6219-67-6" , "615-05-4" , "39156-41-7" ;
dbo:formula "C7H12N2O5S" ;
dbo:inchi "InChI=1S/C7H10N2O.H2O4S/c1-10-7-3-2-5(8)4-6(7)9;1-5(2,3)4/h2-4H,8-9H2,1H3;(H2,1,2,3,4)" ;
dbo:iupacName "4-methoxybenzene-1,3-diamine; sulfuric acid"@en ;
dbo:pubchem "38221"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)N)N.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=FDJQHYWUHGBBTO-UHFFFAOYSA-N" ;
skos:altLabel "2,4-diaminoanisolsulfaat"@nl ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DAoansl" , "24DAoansSO4" ;
skos:prefLabel "2,4-diaminoanisol"@nl .
csc:DLHXRDUXNVEIEY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17131 ;
dbo:casNumber "2445-83-2" ;
dbo:formula "C10H8O2" ;
dbo:inchi "InChI=1S/C10H8O2/c1-7-2-3-8-4-5-10(11)12-9(8)6-7/h2-6H,1H3" ;
dbo:iupacName "7-methylchromen-2-one"@en ;
dbo:pubchem "17131"^^xsd:int ;
dbo:smiles "CC1=CC2=C(C=C1)C=CC(=O)O2" ;
dbp:inchikey "InChIKey=DLHXRDUXNVEIEY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7C1ycmrn" ;
skos:prefLabel "7-methylcoumarin"@nl .
csc:DKMROQRQHGEIOW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31249 ;
dbo:casNumber "68989-32-2" , "123-25-1" ;
dbo:formula "C8H14O4" ;
dbo:inchi "InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "Diethyl butanedioate"@en ;
dbo:pubchem "31249"^^xsd:int ;
dbo:smiles "CCOC(=O)CCC(=O)OCC" ;
dbp:inchikey "InChIKey=DKMROQRQHGEIOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4aDzrDC2yEs" ;
skos:prefLabel "butaandizuur, diethylester"@nl .
csc:YREQHYQNNWYQCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:71245 ;
dbo:casNumber "80844-07-1" ;
dbo:formula "C25H28O3" ;
dbo:inchi "InChI=1S/C25H28O3/c1-4-27-22-15-13-21(14-16-22)25(2,3)19-26-18-20-9-8-12-24(17-20)28-23-10-6-5-7-11-23/h5-17H,4,18-19H2,1-3H3" ;
dbo:iupacName "1-ethoxy-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene"@en ;
dbo:pubchem "71245"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)C(C)(C)COCC2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=YREQHYQNNWYQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfpx" ;
skos:prefLabel "ethofenprox"@nl .
csc:LFYXNXGVLGKVCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16913 ;
dbo:casNumber "2371-42-8" , "18680-50-7" , "27695-81-4" , "95097-54-4" , "112548-27-3" ;
dbo:formula "C11H20O" ;
dbo:inchi "InChI=1S/C11H20O/c1-9(2)8-5-6-10(9,3)11(4,12)7-8/h8,12H,5-7H2,1-4H3" ;
dbo:iupacName "1,6,7,7-tetramethylbicyclo[2.2.1]heptan-6-ol"@en ;
dbo:pubchem "16913"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(C2)(C)O)C)C" ;
dbp:inchikey "InChIKey=LFYXNXGVLGKVCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yibnol" ;
skos:prefLabel "2-methyl isoborneol"@nl .
csc:HFCFJYRLBAANKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:11783 ;
dbo:casNumber "603-83-8" ;
dbo:formula "C7H8N2O2" ;
dbo:inchi "InChI=1S/C7H8N2O2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,8H2,1H3" ;
dbo:iupacName "2-Methyl-3-nitroaniline"@en ;
dbo:pubchem "11783"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=HFCFJYRLBAANKN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Ao6NO2Tol" ;
skos:prefLabel "2-amino-6-nitrotolueen"@nl .
csc:YZCKVEUIGOORGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5362549 ;
dbo:casNumber "1333-74-0" ;
dbo:formula "H" ;
dbo:inchi "InChI=1S/H" ;
dbo:iupacName "Hydrogen"@en ;
dbo:pubchem "5362549"^^xsd:int ;
dbo:smiles "[H]" ;
dbp:inchikey "InChIKey=YZCKVEUIGOORGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H" ;
skos:prefLabel "waterstof"@nl .
csc:VHYFNPMBLIVWCW-UHFFFAOYSA-O
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2735020 ;
dbo:casNumber "1122-58-3" ;
dbo:formula "C7H11N2+" ;
dbo:inchi "InChI=1S/C7H10N2/c1-9(2)7-3-5-8-6-4-7/h3-6H,1-2H3/p+1" ;
dbo:iupacName "N,N-dimethylpyridin-1-ium-4-amine"@en ;
dbo:pubchem "2735020"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=[NH+]C=C1" ;
dbp:inchikey "InChIKey=VHYFNPMBLIVWCW-UHFFFAOYSA-O" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yAoprdne" ;
skos:prefLabel "4-dimethylaminopyridine"@nl .
csc:TYMLOMAKGOJONV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7475 ;
dbo:casNumber "100-01-6" , "38013-32-0" ;
dbo:formula "C6H6N2O2" ;
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2" ;
dbo:iupacName "['4-Nitroaniline', 'N,N-dihydroxybenzene-1,4-diamine']"@en ;
dbo:pubchem "7475"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=TYMLOMAKGOJONV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2An" ;
skos:prefLabel "4-nitroaniline"@nl .
csc:IMRYETFJNLKUHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91696 ;
dbo:casNumber "68140-48-7" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3" ;
dbo:iupacName "1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone"@en ;
dbo:pubchem "91696"^^xsd:int ;
dbo:smiles "CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C" ;
dbp:inchikey "InChIKey=IMRYETFJNLKUHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000027 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ATTI" ;
skos:prefLabel "traseolide"@nl .
csc:SIXSYDAISGFNSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23952 ;
dbo:casNumber "7440-20-2" , "14391-83-4" , "195161-76-3" ;
dbo:formula "Sc" ;
dbo:inchi "InChI=1S/Sc" ;
dbo:iupacName "SCANDIUM"@en ;
dbo:pubchem "23952"^^xsd:int ;
dbo:smiles "[Sc]" ;
dbp:inchikey "InChIKey=SIXSYDAISGFNSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sc" ;
skos:prefLabel "scandium"@nl .
csc:FNPXMHRZILFCKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:52421 ;
dbo:casNumber "73771-04-7" ;
dbo:formula "C27H36O8" ;
dbo:inchi "InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3" ;
dbo:iupacName "[2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate"@en ;
dbo:pubchem "52421"^^xsd:int ;
dbo:smiles "CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC" ;
dbp:inchikey "InChIKey=FNPXMHRZILFCKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "predncbt" ;
skos:prefLabel "prednicarbaat"@nl .
csc:PTCGDEVVHUXTMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47898 ;
dbo:casNumber "66332-96-5" , "84461-35-8" ;
dbo:formula "C17H16F3NO2" ;
dbo:inchi "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)" ;
dbo:iupacName "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide"@en ;
dbo:pubchem "47898"^^xsd:int ;
dbo:smiles "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" ;
dbp:inchikey "InChIKey=PTCGDEVVHUXTMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutlnl" ;
skos:prefLabel "flutolanil"@nl .
csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5817 ;
dbo:casNumber "51-44-5" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)" ;
dbo:iupacName "3,4-Dichlorobenzoic acid"@en ;
dbo:pubchem "5817"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C(=O)O)Cl)Cl" ;
dbp:inchikey "InChIKey=VPHHJAOJUJHJKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DClBencbzr" ;
skos:prefLabel "3,4-dichloorbenzeencarbonzuur"@nl .
csc:GATVIKZLVQHOMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31296 ;
dbo:casNumber "124-48-1" ;
dbo:formula "CHBr2Cl" ;
dbo:inchi "InChI=1S/CHBr2Cl/c2-1(3)4/h1H" ;
dbo:iupacName "dibromo-chloromethane"@en ;
dbo:pubchem "31296"^^xsd:int ;
dbo:smiles "C(Cl)(Br)Br" ;
dbp:inchikey "InChIKey=GATVIKZLVQHOMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_124-48-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrClC1a" ;
skos:prefLabel "dibroomchloormethaan"@nl ;
vcs:vmmParameterId "377"^^xsd:int .
csc:KNLLPAOBVIKLDE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:35405 ;
dbo:casNumber "30667-99-3" ;
dbo:formula "C16H15Cl3O2" ;
dbo:inchi "InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3" ;
dbo:iupacName "1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene"@en ;
dbo:pubchem "35405"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=KNLLPAOBVIKLDE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24C1oxCl" ;
skos:prefLabel "2,4'-methoxychloor"@nl .
csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12484 ;
dbo:casNumber "636-21-5" ;
dbo:formula "C7H10ClN" ;
dbo:inchi "InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H" ;
dbo:iupacName "2-METHYLANILINE HYDROCHLORIDE"@en ;
dbo:pubchem "12484"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1N.Cl" ;
dbp:inchikey "InChIKey=OGVXWEOZQMAAIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "otolidnHCl" ;
skos:prefLabel "o-toluidine hydrochloride"@nl .
csc:YFNCATAIYKQPOO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31991 ;
dbo:casNumber "37359-51-6" , "23564-06-9" , "39300-54-4" , "37233-54-8" ;
dbo:formula "C14H18N4O4S2" ;
dbo:inchi "InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)" ;
dbo:iupacName "ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate"@en ;
dbo:pubchem "31991"^^xsd:int ;
dbo:smiles "CCOC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OCC)S)S" ;
dbp:inchikey "InChIKey=YFNCATAIYKQPOO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnC2y" ;
skos:prefLabel "thiofanaat-ethyl"@nl .
csc:PWYIUEFFPNVCMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:23717 ;
dbo:casNumber "7292-16-2" ;
dbo:formula "C13H21O4PS" ;
dbo:inchi "InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3" ;
dbo:iupacName "(4-methylsulfanylphenyl) dipropyl phosphate"@en ;
dbo:pubchem "23717"^^xsd:int ;
dbo:smiles "CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC" ;
dbp:inchikey "InChIKey=PWYIUEFFPNVCMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004742 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfs" ;
skos:prefLabel "propafos"@nl .
csc:LBCZOTMMGHGTPH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24775 ;
dbo:casNumber "53663-54-0" , "77137-66-7" , "63172-50-9" , "54834-97-8" , "39341-03-2" , "52628-05-4" , "50815-48-0" , "71538-51-7" , "39316-46-6" , "141443-66-5" , "11130-43-1" , "59112-84-4" , "9036-19-5" , "188612-22-8" , "68310-57-6" , "9081-83-8" , "55600-46-9" , "58056-95-4" , "120026-27-9" , "53858-66-5" , "1336-60-3" , "12679-74-2" , "39320-65-5" , "39283-49-3" , "73904-96-8" ;
dbo:formula "C18H30O3" ;
dbo:inchi "InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3" ;
dbo:iupacName "2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol"@en ;
dbo:pubchem "24775"^^xsd:int ;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO" ;
dbp:inchikey "InChIKey=LBCZOTMMGHGTPH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C8yfOxplC2ox" ;
skos:prefLabel "octylfenoxypolyethoxyethanol"@nl .
csc:AKNQMEBLVAMSNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:43233 ;
dbo:casNumber "60207-31-0" ;
dbo:formula "C12H11Cl2N3O2" ;
dbo:inchi "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2" ;
dbo:iupacName "1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "43233"^^xsd:int ;
dbo:smiles "C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl" ;
dbp:inchikey "InChIKey=AKNQMEBLVAMSNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azacnzl" ;
skos:prefLabel "azaconazool"@nl .
csc:WPNHOHPRXXCPRA-TVXIRPTOSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6450531 ;
dbo:casNumber "159628-36-1" , "123997-26-2" ;
dbo:formula "C49H73NO14" ;
dbo:inchi "InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1" ;
dbo:iupacName "N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide"@en ;
dbo:pubchem "6450531"^^xsd:int ;
dbo:smiles "CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O" ;
dbp:inchikey "InChIKey=WPNHOHPRXXCPRA-TVXIRPTOSA-N" ;
skos:broader csc:CHEMONTID_0000147 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "epnmtn" ;
skos:prefLabel "eprinomectin"@nl .
csc:JQZFYIGAYWLRCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9632 ;
dbo:casNumber "354-25-6" ;
dbo:formula "C2HClF4" ;
dbo:inchi "InChI=1S/C2HClF4/c3-2(6,7)1(4)5/h1H" ;
dbo:iupacName "1-Chloro-1,1,2,2-tetrafluoroethane"@en ;
dbo:pubchem "9632"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)F" ;
dbp:inchikey "InChIKey=JQZFYIGAYWLRCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK124a" ;
skos:prefLabel "1-chloor-1,1,2,2-tetrafluorethaan"@nl .
csc:XDNBJTQLKCIJBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8292 ;
dbo:casNumber "115-90-2" ;
dbo:formula "C11H17O4PS2" ;
dbo:inchi "InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3" ;
dbo:iupacName "diethoxy-(4-methylsulfinylphenoxy)-sulfanylidenephosphorane"@en ;
dbo:pubchem "8292"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC=C(C=C1)S(=O)C" ;
dbp:inchikey "InChIKey=XDNBJTQLKCIJBV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fensfton" ;
skos:prefLabel "fensulfothion"@nl .
csc:RIOXQFHNBCKOKP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:28780 ;
dbo:casNumber "52683-56-4" , "39357-40-9" , "17804-35-2" ;
dbo:formula "C14H18N4O3" ;
dbo:inchi "InChI=1S/C14H18N4O3/c1-3-4-9-15-13(19)18-11-8-6-5-7-10(11)16-12(18)17-14(20)21-2/h5-8H,3-4,9H2,1-2H3,(H,15,19)(H,16,17,20)" ;
dbo:iupacName "methyl N-[1-(butylcarbamoyl)benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "28780"^^xsd:int ;
dbo:smiles "CCCCNC(=O)N1C2=CC=CC=C2N=C1NC(=O)OC" ;
dbp:inchikey "InChIKey=RIOXQFHNBCKOKP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004711 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benml" ;
skos:prefLabel "benomyl"@nl .
csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42140 ;
dbo:casNumber "57117-44-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-4-1-3-7-6(2-5(14)8(15)10(7)17)19-12(3)11(18)9(4)16/h1-2H" ;
dbo:iupacName "1,2,3,6,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42140"^^xsd:int ;
dbo:smiles "C1=C2C3=C(C(=C(C=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JEYJJJXOFWNEHN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,6,7,8-hexachloordibenzofuran"@nl , " 1,2,3,6,7,8-hexachloordibenzofuraan"@nl , "1,2,3,6,7,8-hexachloordibenzofuraan"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-44-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF121" ;
skos:prefLabel "1,2,3,6,7,8-hexachloordibenzofuraan (hxcdf)"@nl ;
vcs:vmmParameterId "1241"^^xsd:int .
csc:VNEBWJSWMVTSHK-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8673 ;
dbo:casNumber "135-51-3" , "148-75-4" , "39301-76-3" ;
dbo:formula "C10H6Na2O7S2" ;
dbo:inchi "InChI=1S/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 3-hydroxynaphthalene-2,7-disulfonate"@en ;
dbo:pubchem "8673"^^xsd:int ;
dbo:smiles "C1=CC(=CC2=CC(=C(C=C21)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=VNEBWJSWMVTSHK-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxNaf27Dsf" ;
skos:prefLabel "3-hydroxynaftaleen-2,7-disulfonzuur"@nl .
csc:SKDFWEPBABSFMG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15442 ;
dbo:casNumber "1649-08-7" , "25915-78-0" ;
dbo:formula "C2H2Cl2F2" ;
dbo:inchi "InChI=1S/C2H2Cl2F2/c3-1-2(4,5)6/h1H2" ;
dbo:iupacName "1,2-DICHLORO-1,1-DIFLUOROETHANE"@en ;
dbo:pubchem "15442"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)Cl" ;
dbp:inchikey "InChIKey=SKDFWEPBABSFMG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK132b" ;
skos:prefLabel "1,2-dichloor-1,1-difluorethaan"@nl .
csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7070 ;
dbo:casNumber "91-94-1" , "86349-58-8" ;
dbo:formula "C12H10Cl2N2" ;
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2" ;
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline"@en ;
dbo:pubchem "7070"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N" ;
dbp:inchikey "InChIKey=HUWXDEQWWKGHRV-UHFFFAOYSA-N" ;
skos:altLabel "3,3'-dichloorbenzidine"@nl ;
skos:broader csc:CHEMONTID_0003956 ;
skos:exactMatch wise:CAS_91-94-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DClbzdne" ;
skos:prefLabel "3,3’-dichloorbenzidine"@nl ;
vcs:vmmParameterId "474"^^xsd:int .
csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl ;
rdfs:seeAlso compound:38019 ;
dbo:casNumber "38380-08-4" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "38019"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LCXMEXLGMKFLQO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 156"@nl , "2,3,3',4,4',5-hexachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_38380-08-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB156" ;
skos:prefLabel "PCB 156"@nl ;
vcs:vmmParameterId "1372"^^xsd:int .
csc:TVYLLZQTGLZFBW-ZBFHGGJFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33741 ;
dbo:casNumber "27203-92-5" ;
dbo:formula "C16H25NO2" ;
dbo:inchi "InChI=1S/C16H25NO2/c1-17(2)12-14-7-4-5-10-16(14,18)13-8-6-9-15(11-13)19-3/h6,8-9,11,14,18H,4-5,7,10,12H2,1-3H3/t14-,16+/m1/s1" ;
dbo:iupacName "(1R,2R)-2-(dimethylaminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol"@en ;
dbo:pubchem "33741"^^xsd:int ;
dbo:smiles "CN(C)CC1CCCCC1(C2=CC(=CC=C2)OC)O" ;
dbp:inchikey "InChIKey=TVYLLZQTGLZFBW-ZBFHGGJFSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tramdl" ;
skos:prefLabel "tramadol"@nl .
csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6975 ;
dbo:casNumber "89-59-8" ;
dbo:formula "C7H6ClNO2" ;
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3" ;
dbo:iupacName "4-chloro-1-methyl-2-nitrobenzene"@en ;
dbo:pubchem "6975"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=SQFLFRQWPBEDHM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-59-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2Tol" ;
skos:prefLabel "4-chloor-2-nitrotolueen"@nl ;
vcs:vmmParameterId "362"^^xsd:int .
csc:RXVCHKFNBPFYCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6451507 ;
dbo:casNumber "3053-85-8" ;
dbo:formula "C9H12N2O5S" ;
dbo:inchi "InChI=1S/C9H12N2O5S/c1-9(2)4(7(14)15)11-5(17-9)3(6(12)13)10-8(11)16/h3-5H,1-2H3,(H,10,16)(H,12,13)(H,14,15)" ;
dbo:iupacName "2,2-dimethyl-5-oxo-3,6,7,7a-tetrahydroimidazo[5,1-b][1,3]thiazole-3,7-dicarboxylic acid"@en ;
dbo:pubchem "6451507"^^xsd:int ;
dbo:smiles "CC1(C(N2C(S1)C(NC2=O)C(=O)O)C(=O)O)C" ;
dbp:inchikey "InChIKey=RXVCHKFNBPFYCC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000060 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "8-HPA" ;
skos:prefLabel "8-hydroxypennelic acid"@nl .
csc:YWHLKYXPLRWGSE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:19310 ;
dbo:casNumber "3658-80-8" , "85931-54-0" ;
dbo:formula "C2H6S3" ;
dbo:inchi "InChI=1S/C2H6S3/c1-3-5-4-2/h1-2H3" ;
dbo:iupacName "methylsulfanyldisulfanylmethane"@en ;
dbo:pubchem "19310"^^xsd:int ;
dbo:smiles "CSSSC" ;
dbp:inchikey "InChIKey=YWHLKYXPLRWGSE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002799 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yTS" ;
skos:prefLabel "dimethyltrisulfide"@nl .
csc:YASYVMFAVPKPKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1982 ;
dbo:casNumber "115096-11-2" , "30560-19-1" ;
dbo:formula "C4H10NO3PS" ;
dbo:inchi "InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)" ;
dbo:iupacName "N-(methoxy-methylsulfanylphosphoryl)acetamide"@en ;
dbo:pubchem "1982"^^xsd:int ;
dbo:smiles "CC(=O)NP(=O)(OC)SC" ;
dbp:inchikey "InChIKey=YASYVMFAVPKPKE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acft" ;
skos:prefLabel "acefaat"@nl .
csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:6658 ;
dbo:casNumber "80-62-6" , "162221-54-7" , "220713-32-6" , "9065-11-6" ;
dbo:formula "C5H8O2" ;
dbo:inchi "InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3" ;
dbo:iupacName "methyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "6658"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)OC" ;
dbp:inchikey "InChIKey=VVQNEPGJFQJSBK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_012 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1ymtclt" ;
skos:prefLabel "methylmethacrylaat"@nl .
csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5765 ;
dbo:casNumber "50-45-3" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)" ;
dbo:iupacName "2,3-DICHLOROBENZOIC ACID"@en ;
dbo:pubchem "5765"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C(=O)O" ;
dbp:inchikey "InChIKey=QAOJBHRZQQDFHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DClBencbzr" ;
skos:prefLabel "2,3-dichloorbenzeencarbonzuur"@nl .
csc:VHRGRCVQAFMJIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:273 ;
dbo:casNumber "462-94-2" ;
dbo:formula "C5H14N2" ;
dbo:inchi "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2" ;
dbo:iupacName "PENTANE-1,5-DIAMINE"@en ;
dbo:pubchem "273"^^xsd:int ;
dbo:smiles "C(CCN)CCN" ;
dbp:inchikey "InChIKey=VHRGRCVQAFMJIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "15C5aDAe" ;
skos:prefLabel "1,5-pentaandiamine"@nl .
csc:KZJWDPNRJALLNS-VJSFXXLFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:222284 ;
dbo:casNumber "83-46-5" ;
dbo:formula "C29H50O" ;
dbo:inchi "InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1" ;
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "222284"^^xsd:int ;
dbo:smiles "CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C(C)C" ;
dbp:inchikey "InChIKey=KZJWDPNRJALLNS-VJSFXXLFSA-N" ;
skos:broader csc:CHEMONTID_0002031 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bsitsrl" ;
skos:prefLabel "beta-sitosterol"@nl .
csc:GNOIPBMMFNIUFM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12679 ;
dbo:casNumber "51557-01-8" , "24992-55-0" , "630-31-9" , "680-31-9" ;
dbo:formula "C6H18N3OP" ;
dbo:inchi "InChI=1S/C6H18N3OP/c1-7(2)11(10,8(3)4)9(5)6/h1-6H3" ;
dbo:iupacName "['N-bis(dimethylamino)phosphoryl-N-methylmethanamine', 'tris(dimethylamino)-hydroxyphosphanium']"@en ;
dbo:pubchem "12679"^^xsd:int ;
dbo:smiles "CN(C)P(=O)(N(C)C)N(C)C" ;
dbp:inchikey "InChIKey=GNOIPBMMFNIUFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001204 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxC1yPAd" ;
skos:prefLabel "hexamethylfosforamide"@nl .
csc:PORQOHRXAJJKGK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91688 ;
dbo:casNumber "64359-81-5" ;
dbo:formula "C11H17Cl2NOS" ;
dbo:inchi "InChI=1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3" ;
dbo:iupacName "4,5-dichloro-2-octyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "91688"^^xsd:int ;
dbo:smiles "CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl" ;
dbp:inchikey "InChIKey=PORQOHRXAJJKGK-UHFFFAOYSA-N" ;
skos:altLabel "4,5-dichloor-2-octyl-2h-isothiazool-3-on"@nl ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2C8y2Hi" ;
skos:prefLabel "4,5-dichloor-2-octyl-2H-isothiazool-3-on"@nl .
csc:XCZCWGVXRBJCCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8638 ;
dbo:casNumber "134-29-2" ;
dbo:formula "C7H10ClNO" ;
dbo:inchi "InChI=1S/C7H9NO.ClH/c1-9-7-5-3-2-4-6(7)8;/h2-5H,8H2,1H3;1H" ;
dbo:iupacName "2-Methoxyaniline hydrochloride"@en ;
dbo:pubchem "8638"^^xsd:int ;
dbo:smiles "COC1=CC=CC=C1N.Cl" ;
dbp:inchikey "InChIKey=XCZCWGVXRBJCCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004670 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ansdnHCl" ;
skos:prefLabel "2-anisidine hydrochloride"@nl .
csc:RQVGAIADHNPSME-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17531 ;
dbo:casNumber "2642-71-9" ;
dbo:formula "C12H16N3O3PS2" ;
dbo:inchi "InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3" ;
dbo:iupacName "3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one"@en ;
dbo:pubchem "17531"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)SCN1C(=O)C2=CC=CC=C2N=N1" ;
dbp:inchikey "InChIKey=RQVGAIADHNPSME-UHFFFAOYSA-N" ;
skos:altLabel "azinfos-ethyl"@nl ;
skos:broader csc:CHEMONTID_0004660 ;
skos:exactMatch wise:CAS_2642-71-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yazfs" ;
skos:prefLabel "ethylazinfos"@nl ;
vcs:vmmParameterId "393"^^xsd:int .
csc:QMLVECGLEOSESV-RYUDHWBXSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:71335 ;
dbo:casNumber "112398-08-0" ;
dbo:formula "C19H20FN3O3" ;
dbo:inchi "InChI=1S/C19H20FN3O3/c1-21-7-12-4-11(21)8-22(12)17-6-16-13(5-15(17)20)18(24)14(19(25)26)9-23(16)10-2-3-10/h5-6,9-12H,2-4,7-8H2,1H3,(H,25,26)/t11-,12-/m0/s1" ;
dbo:iupacName "1-cyclopropyl-6-fluoro-7-[(1S,4S)-3-methyl-3,6-diazabicyclo[2.2.1]heptan-6-yl]-4-oxoquinoline-3-carboxylic acid"@en ;
dbo:pubchem "71335"^^xsd:int ;
dbo:smiles "CN1CC2CC1CN2C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F" ;
dbp:inchikey "InChIKey=QMLVECGLEOSESV-RYUDHWBXSA-N" ;
skos:altLabel "danofloxacine"@nl ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "danfxcn" ;
skos:prefLabel "danofloxacin"@nl .
csc:YKBZOVFACRVRJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:197701 ;
dbo:casNumber "165252-70-0" ;
dbo:formula "C7H14N4O3" ;
dbo:inchi "InChI=1S/C7H14N4O3/c1-8-7(10-11(12)13)9-4-6-2-3-14-5-6/h6H,2-5H2,1H3,(H2,8,9,10)" ;
dbo:iupacName "2-methyl-3-nitro-1-(oxolan-3-ylmethyl)guanidine"@en ;
dbo:pubchem "197701"^^xsd:int ;
dbo:smiles "CN=C(NCC1CCOC1)N[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=YKBZOVFACRVRJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004667 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dntfrn" ;
skos:prefLabel "dinotefuran"@nl .
csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4684 ;
dbo:casNumber "106-48-9" ;
dbo:formula "C6H5ClO" ;
dbo:inchi "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H" ;
dbo:iupacName "4-Chlorophenol"@en ;
dbo:pubchem "4684"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1O)Cl" ;
dbp:inchikey "InChIKey=WXNZTHHGJRFXKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002772 ;
skos:exactMatch wise:CAS_106-48-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClFol" ;
skos:prefLabel "4-chloorfenol"@nl ;
vcs:vmmParameterId "364"^^xsd:int .
csc:LRUDIIUSNGCQKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8705 ;
dbo:casNumber "136-85-6" , "49636-02-4" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-5-2-3-6-7(4-5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" ;
dbo:iupacName "5-methyl-2H-benzotriazole"@en ;
dbo:pubchem "8705"^^xsd:int ;
dbo:smiles "CC1=CC2=NNN=C2C=C1" ;
dbp:inchikey "InChIKey=LRUDIIUSNGCQKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5C1y1Hbztazl" ;
skos:prefLabel "5-methyl-1H-benzotriazool"@nl .
csc:SGTNSNPWRIOYBX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2520 ;
dbo:casNumber "52-53-9" , "56949-77-0" ;
dbo:formula "C27H38N2O4" ;
dbo:inchi "InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3" ;
dbo:iupacName "2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile"@en ;
dbo:pubchem "2520"^^xsd:int ;
dbo:smiles "CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC" ;
dbp:inchikey "InChIKey=SGTNSNPWRIOYBX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000014 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "verpml" ;
skos:prefLabel "verapamil"@nl .
csc:LGHZJDKSVUTELU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3078139 ;
dbo:casNumber "120068-36-2" ;
dbo:formula "C12H4Cl2F6N4O2S" ;
dbo:inchi "InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2" ;
dbo:iupacName "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile"@en ;
dbo:pubchem "3078139"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F" ;
dbp:inchikey "InChIKey=LGHZJDKSVUTELU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fipnsfn" ;
skos:prefLabel "fipronil-sulfon"@nl .
csc:LJOZMWRYMKECFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:27195 ;
dbo:casNumber "15310-01-7" ;
dbo:formula "C13H10INO" ;
dbo:inchi "InChI=1S/C13H10INO/c14-12-9-5-4-8-11(12)13(16)15-10-6-2-1-3-7-10/h1-9H,(H,15,16)" ;
dbo:iupacName "2-Iodo-N-phenylbenzamide"@en ;
dbo:pubchem "27195"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2I" ;
dbp:inchikey "InChIKey=LJOZMWRYMKECFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004713 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benodnl" ;
skos:prefLabel "benodanil"@nl .
csc:CSCPPACGZOOCGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:180 ;
dbo:casNumber "67-64-1" ;
dbo:formula "C3H6O" ;
dbo:inchi "InChI=1S/C3H6O/c1-3(2)4/h1-2H3" ;
dbo:iupacName "propan-2-one"@en ;
dbo:pubchem "180"^^xsd:int ;
dbo:smiles "CC(=O)C" ;
dbp:inchikey "InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 , co:LUC_IV_011 ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actn" ;
skos:prefLabel "aceton"@nl .
csc:KIDWGGCIROEJJW-GQCTYLIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6399420 ;
dbo:casNumber "30558-43-1" ;
dbo:formula "C5H10N2O2S" ;
dbo:inchi "InChI=1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4+" ;
dbo:iupacName "(2E)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanylacetamide"@en ;
dbo:pubchem "6399420"^^xsd:int ;
dbo:smiles "CN(C)C(=O)C(=NO)SC" ;
dbp:inchikey "InChIKey=KIDWGGCIROEJJW-GQCTYLIASA-N" ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OamOxme" ;
skos:prefLabel "oxamyl-oxime"@nl .
csc:LOJHHQNEBFCTQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:20129 ;
dbo:casNumber "157967-88-9" , "4169-04-4" , "38600-05-4" ;
dbo:formula "C9H12O2" ;
dbo:inchi "InChI=1S/C9H12O2/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3" ;
dbo:iupacName "2-(phenoxy)propan-1-ol"@en ;
dbo:pubchem "20129"^^xsd:int ;
dbo:smiles "CC(CO)OC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=LOJHHQNEBFCTQK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2fenOx1C3ol" ;
skos:prefLabel "2-fenoxy-1-propanol"@nl .
csc:XZZNDPSIHUTMOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8289 ;
dbo:casNumber "115-86-6" , "402955-02-6" ;
dbo:formula "C18H15O4P" ;
dbo:inchi "InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "['Triphenyl phosphate', 'hydroxy-tris(phenoxy)phosphanium']"@en ;
dbo:pubchem "8289"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=XZZNDPSIHUTMOC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004619 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TFyPO4" ;
skos:prefLabel "trifenylfosfaat"@nl .
csc:FTNJWQUOZFUQQJ-NDAWSKJSSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5281303 ;
dbo:casNumber "11141-17-6" ;
dbo:formula "C35H44O16" ;
dbo:inchi "InChI=1S/C35H44O16/c1-8-15(2)24(38)49-18-12-19(48-16(3)36)32(26(39)43-6)13-46-21-22(32)31(18)14-47-34(42,27(40)44-7)25(31)29(4,23(21)37)35-20-11-17(30(35,5)51-35)33(41)9-10-45-28(33)50-20/h8-10,17-23,25,28,37,41-42H,11-14H2,1-7H3/b15-8+/t17-,18+,19-,20+,21-,22-,23-,25+,28+,29-,30+,31+,32+,33+,34+,35+/m1/s1" ;
dbo:iupacName "dimethyl (1S,4S,5R,6S,7S,8R,11S,12R,14S,15R)-12-acetyloxy-4,7-dihydroxy-6-[(1S,2S,6S,8S,9R,11S)-2-hydroxy-11-methyl-5,7,10-trioxatetracyclo[6.3.1.02,6.09,11]dodec-3-en-9-yl]-6-methyl-14-[(E)-2-methylbut-2-enoyl]oxy-3,9-dioxatetracyclo[6.6.1.01,5.011,15]pentadecane-4,11-dicarboxylate"@en ;
dbo:pubchem "5281303"^^xsd:int ;
dbo:smiles "CC=C(C)C(=O)OC1CC(C2(COC3C2C14COC(C4C(C3O)(C)C56C7CC(C5(O6)C)C8(C=COC8O7)O)(C(=O)OC)O)C(=O)OC)OC(=O)C" ;
dbp:inchikey "InChIKey=FTNJWQUOZFUQQJ-NDAWSKJSSA-N" ;
skos:broader csc:CHEMONTID_0002380 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "azdrtn" ;
skos:prefLabel "azadirachtin"@nl .
csc:AGKSTYPVMZODRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93483 ;
dbo:casNumber "86598-92-7" ;
dbo:formula "C17H13Cl3N4S" ;
dbo:inchi "InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2" ;
dbo:iupacName "1-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine"@en ;
dbo:pubchem "93483"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1CSC(=NC2=C(C=C(C=C2)Cl)Cl)CN3C=NC=N3)Cl" ;
dbp:inchikey "InChIKey=AGKSTYPVMZODRV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "imbcnzl" ;
skos:prefLabel "imibenconazool"@nl .
csc:MGWAVDBGNNKXQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6782 ;
dbo:casNumber "68955-80-6" , "84-69-5" , "68951-39-3" ;
dbo:formula "C16H22O4" ;
dbo:inchi "InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3" ;
dbo:iupacName "bis(2-methylpropyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6782"^^xsd:int ;
dbo:smiles "CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C" ;
dbp:inchikey "InChIKey=MGWAVDBGNNKXQV-UHFFFAOYSA-N" ;
skos:altLabel "di-isobutylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-69-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DiC4yFt" ;
skos:prefLabel "diisobutylftalaat"@nl ;
vcs:vmmParameterId "66"^^xsd:int .
csc:CXGONMQFMIYUJR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67545 ;
dbo:casNumber "307-55-1" ;
dbo:formula "C12HF23O2" ;
dbo:inchi "InChI=1S/C12HF23O2/c13-2(14,1(36)37)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h(H,36,37)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid"@en ;
dbo:pubchem "67545"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=CXGONMQFMIYUJR-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-dodecaanzuur (pfdoda)"@nl , "perfluor-n-dodecaanzuur"@nl , "perfluordodecaanzuur (pfdoda)"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDoA" ;
skos:prefLabel "perfluordodecaanzuur"@nl .
csc:DGAIEPBNLOQYER-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3736 ;
dbo:casNumber "73334-07-3" ;
dbo:formula "C18H24I3N3O8" ;
dbo:inchi "InChI=1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)" ;
dbo:iupacName "N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-N'-methylbenzene-1,3-dicarboxamide"@en ;
dbo:pubchem "3736"^^xsd:int ;
dbo:smiles "CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I" ;
dbp:inchikey "InChIKey=DGAIEPBNLOQYER-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "jopmde" ;
skos:prefLabel "jopromide"@nl .
csc:LFULEKSKNZEWOE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4933 ;
dbo:casNumber "709-98-8" , "11096-32-5" , "110343-36-7" ;
dbo:formula "C9H9Cl2NO" ;
dbo:inchi "InChI=1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13)" ;
dbo:iupacName "N-(3,4-Dichlorophenyl)propanamide"@en ;
dbo:pubchem "4933"^^xsd:int ;
dbo:smiles "CCC(=O)NC1=CC(=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=LFULEKSKNZEWOE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_709-98-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propnl" ;
skos:prefLabel "propanil"@nl ;
vcs:vmmParameterId "231"^^xsd:int .
csc:GSDSWSVVBLHKDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4583 ;
dbo:casNumber "83380-47-6" , "85344-55-4" , "82419-36-1" ;
dbo:formula "C18H20FN3O4" ;
dbo:inchi "InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)" ;
dbo:iupacName "7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid"@en ;
dbo:pubchem "4583"^^xsd:int ;
dbo:smiles "CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O" ;
dbp:inchikey "InChIKey=GSDSWSVVBLHKDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002552 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ofxcne" ;
skos:prefLabel "ofloxacine"@nl .
csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:32154 ;
dbo:casNumber "66393-62-2" , "11097-12-4" , "23950-58-5" , "11097-11-3" ;
dbo:formula "C12H11Cl2NO" ;
dbo:inchi "InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)" ;
dbo:iupacName "3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide"@en ;
dbo:pubchem "32154"^^xsd:int ;
dbo:smiles "CC(C)(C#C)NC(=O)C1=CC(=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=PHNUZKMIPFFYSO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003099 ;
skos:exactMatch wise:CAS_23950-58-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propAd" ;
skos:prefLabel "propyzamide"@nl ;
vcs:vmmParameterId "1036"^^xsd:int .
csc:LULLIKNODDLMDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104734 ;
dbo:casNumber "22541-54-4" ;
dbo:formula "As+3" ;
dbo:inchi "InChI=1S/As/q+3" ;
dbo:iupacName "arsenic(+3) cation"@en ;
dbo:pubchem "104734"^^xsd:int ;
dbo:smiles "[As+3]" ;
dbp:inchikey "InChIKey=LULLIKNODDLMDQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AsIII" ;
skos:prefLabel "arseen (driewaardig)"@nl .
csc:CYTYCFOTNPOANT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'tetrachloorethyleen'"@nl , "VLAR II Art. 5.4.3.1.4 'perchloorethyleen'"@nl , " (PER bij droogkuis), 'tetrachloorethyleen', 'tetrachloorethyleen'"@nl ;
rdfs:seeAlso compound:31373 ;
dbo:casNumber "127-18-4" ;
dbo:formula "C2Cl4" ;
dbo:inchi "InChI=1S/C2Cl4/c3-1(4)2(5)6" ;
dbo:iupacName "1,1,2,2-Tetrachloroethene"@en ;
dbo:pubchem "31373"^^xsd:int ;
dbo:smiles "C(=C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=CYTYCFOTNPOANT-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_II_002 , co:LUC_IV_000 , co:LUC_IV_002 ;
skos:altLabel "tetrachlooretheen"@nl , "per (perchloorethyleen)"@nl , "tetrachlooretheen (per)"@nl , "tetrachloorethyleen (per)"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_127-18-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC2e" ;
skos:prefLabel "PER (perchloorethyleen)"@nl ;
vcs:vmmParameterId "382"^^xsd:int .
csc:QAOWNCQODCNURD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'"@nl , "VLAR III (D3) 'zwavelzuur'"@nl ;
rdfs:seeAlso compound:1118 ;
dbo:casNumber "13537-15-0" , "7664-93-9" , "12772-98-4" , "140623-70-7" , "119540-51-1" , "127529-01-5" ;
dbo:formula "H2O4S" ;
dbo:inchi "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)" ;
dbo:iupacName "Sulfuric acid"@en ;
dbo:pubchem "1118"^^xsd:int ;
dbo:smiles "OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=QAOWNCQODCNURD-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_008 ;
skos:altLabel "zwavelzuur (h2so4)"@nl , "zwavelzuur"@nl ;
skos:broader csc:CHEMONTID_0001077 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "H2SO4" ;
skos:prefLabel "zwavelzuur (H2SO4)"@nl .
csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7260 ;
dbo:casNumber "95-79-4" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3" ;
dbo:iupacName "5-Chloro-2-methylaniline"@en ;
dbo:pubchem "7260"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)Cl)N" ;
dbp:inchikey "InChIKey=WRZOMWDJOLIVQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5Cl2C1yAn" ;
skos:prefLabel "5-chloor-2-methylaniline"@nl .
csc:KLGMSAOQDHLCOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17434 ;
dbo:casNumber "2595-54-2" ;
dbo:formula "C10H20NO5PS2" ;
dbo:inchi "InChI=1S/C10H20NO5PS2/c1-5-14-10(13)11(4)9(12)8-19-17(18,15-6-2)16-7-3/h5-8H2,1-4H3" ;
dbo:iupacName "ethyl N-(2-diethoxyphosphinothioylsulfanylacetyl)-N-methylcarbamate"@en ;
dbo:pubchem "17434"^^xsd:int ;
dbo:smiles "CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC" ;
dbp:inchikey "InChIKey=KLGMSAOQDHLCOS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004164 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecbm" ;
skos:prefLabel "mecarbam"@nl .
csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10899 ;
dbo:casNumber "540-54-5" ;
dbo:formula "C3H7Cl" ;
dbo:inchi "InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3" ;
dbo:iupacName "1-CHLOROPROPANE"@en ;
dbo:pubchem "10899"^^xsd:int ;
dbo:smiles "CCCCl" ;
dbp:inchikey "InChIKey=SNMVRZFUUCLYTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClC3a" ;
skos:prefLabel "1-chloorpropaan"@nl .
csc:JRMUNVKIHCOMHV-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74236 ;
dbo:casNumber "65129-09-1" , "1643-19-2" , "65129-13-7" ;
dbo:formula "C16H36BrN" ;
dbo:inchi "InChI=1S/C16H36N.BrH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetrabutylazanium bromide"@en ;
dbo:pubchem "74236"^^xsd:int ;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]" ;
dbp:inchikey "InChIKey=JRMUNVKIHCOMHV-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C4yNH4Br" ;
skos:prefLabel "tetrabutylammonium bromide"@nl .
csc:XJIXIEBYTLLFCV-FAISOMDOSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6436139 ;
dbo:casNumber "6211-15-0" , "92004-19-8" , "57-27-2" , "66591-53-5" ;
dbo:formula "C17H31NO12S" ;
dbo:inchi "InChI=1S/C17H19NO3.H2O4S.5H2O/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4;;;;;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4);5*1H2/t10-,11+,13-,16-,17-;;;;;;/m0....../s1" ;
dbo:iupacName "(4R,4aR,7S,7aR,12bS)-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol;sulfuric acid;pentahydrate"@en ;
dbo:pubchem "6436139"^^xsd:int ;
dbo:smiles "CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O.O.O.O.O.O.OS(=O)(=O)O" ;
dbp:inchikey "InChIKey=XJIXIEBYTLLFCV-FAISOMDOSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "morfne" ;
skos:prefLabel "morfine"@nl .
csc:WSSMOXHYUFMBLS-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26063 ;
dbo:casNumber "7758-94-3" , "13478-10-9" ;
dbo:formula "Cl2FeH8O4" ;
dbo:inchi "InChI=1S/2ClH.Fe.4H2O/h2*1H;;4*1H2/q;;+2;;;;/p-2" ;
dbo:iupacName "iron(2+);dichloride;tetrahydrate"@en ;
dbo:pubchem "26063"^^xsd:int ;
dbo:smiles "O.O.O.O.[Cl-].[Cl-].[Fe+2]" ;
dbp:inchikey "InChIKey=WSSMOXHYUFMBLS-UHFFFAOYSA-L" ;
skos:altLabel "ijzer(II)chloride"@nl ;
skos:broader csc:CHEMONTID_0000588 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FeCl2" ;
skos:prefLabel "ijzer(ii)chloride"@nl .
csc:NIJJYAXOARWZEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3121 ;
dbo:casNumber "99-66-1" , "117039-65-3" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" ;
dbo:iupacName "2-Propylpentanoic acid"@en ;
dbo:pubchem "3121"^^xsd:int ;
dbo:smiles "CCCC(CCC)C(=O)O" ;
dbp:inchikey "InChIKey=NIJJYAXOARWZEE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003544 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "valpinzr" ;
skos:prefLabel "valproinezuur"@nl .
csc:JCVAWLVWQDNEGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:190009 ;
dbo:casNumber "63665-16-7" ;
dbo:formula "C10H25NO5S" ;
dbo:inchi "InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2" ;
dbo:iupacName "1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate"@en ;
dbo:pubchem "190009"^^xsd:int ;
dbo:smiles "CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O" ;
dbp:inchikey "InChIKey=JCVAWLVWQDNEGS-UHFFFAOYSA-N" ;
skos:altLabel "sulfinol D"@nl ;
skos:broader csc:CHEMONTID_0000233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfnD" ;
skos:prefLabel "sulfinol d"@nl .
csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7395 ;
dbo:casNumber "98-57-7" ;
dbo:formula "C7H7ClO2S" ;
dbo:inchi "InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3" ;
dbo:iupacName "1-chloro-4-methylsulfonylbenzene"@en ;
dbo:pubchem "7395"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=LMCOQDVJBWVNNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Cl4C1ysfnBe" ;
skos:prefLabel "1-chloor-4-(methylsulfonyl)benzeen"@nl .
csc:MLKCGVHIFJBRCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86222 ;
dbo:casNumber "128639-02-1" ;
dbo:formula "C15H14Cl2F3N3O3" ;
dbo:inchi "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3" ;
dbo:iupacName "ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate"@en ;
dbo:pubchem "86222"^^xsd:int ;
dbo:smiles "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl" ;
dbp:inchikey "InChIKey=MLKCGVHIFJBRCD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carftznC2y" ;
skos:prefLabel "carfentrazon-ethyl"@nl .
csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9385 ;
dbo:casNumber "306-83-2" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "2,2-DICHLORO-1,1,1-TRIFLUOROETHANE"@en ;
dbo:pubchem "9385"^^xsd:int ;
dbo:smiles "C(C(F)(F)F)(Cl)Cl" ;
dbp:inchikey "InChIKey=OHMHBGPWCHTMQE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123" ;
skos:prefLabel "2,2-dichloor-1,1,1-trifluorethaan"@nl .
csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:39507 ;
dbo:casNumber "49697-38-3" ;
dbo:formula "C24H34O3" ;
dbo:inchi "InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1" ;
dbo:iupacName "(10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "39507"^^xsd:int ;
dbo:smiles "CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C" ;
dbp:inchikey "InChIKey=QTTRZHGPGKRAFB-PAIWTFDUSA-N" ;
skos:broader csc:CHEMONTID_0003058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rimoln" ;
skos:prefLabel "rimexolon"@nl .
csc:QRUDEWIWKLJBPS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7220 ;
dbo:casNumber "94160-69-7" , "95-14-7" , "25377-81-5" , "28880-01-5" , "116421-31-9" , "70644-74-5" , "27556-51-0" , "273-02-9" ;
dbo:formula "C6H5N3" ;
dbo:inchi "InChI=1S/C6H5N3/c1-2-4-6-5(3-1)7-9-8-6/h1-4H,(H,7,8,9)" ;
dbo:iupacName "2H-Benzotriazole"@en ;
dbo:pubchem "7220"^^xsd:int ;
dbo:smiles "C1=CC2=NNN=C2C=C1" ;
dbp:inchikey "InChIKey=QRUDEWIWKLJBPS-UHFFFAOYSA-N" ;
skos:altLabel "benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:exactMatch wise:CAS_95-14-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123benztazl" ;
skos:prefLabel "1,2,3-benzotriazool"@nl ;
vcs:vmmParameterId "2147"^^xsd:int .
csc:OWZREIFADZCYQD-DXCJPMOASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:47354 ;
dbo:casNumber "64363-96-8" ;
dbo:formula "C22H19Br2NO3" ;
dbo:inchi "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "47354"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C" ;
dbp:inchikey "InChIKey=OWZREIFADZCYQD-DXCJPMOASA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tdmtn" ;
skos:prefLabel "trans-deltamethrin"@nl .
csc:KLOZZZNFJYMTNE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:98564 ;
dbo:casNumber "66073-54-9" ;
dbo:formula "C7H5ClFNO" ;
dbo:inchi "InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)" ;
dbo:iupacName "2-Chloro-6-fluorobenzamide"@en ;
dbo:pubchem "98564"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)N)F" ;
dbp:inchikey "InChIKey=KLOZZZNFJYMTNE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003098 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl6FBenAd" ;
skos:prefLabel "2-chloor-6-fluorbenzamide"@nl .
csc:PHTQWCKDNZKARW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:31260 ;
dbo:casNumber "6423-06-9" , "123-51-3" ;
dbo:formula "C5H12O" ;
dbo:inchi "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "3-Methylbutan-1-ol"@en ;
dbo:pubchem "31260"^^xsd:int ;
dbo:smiles "CC(C)CCO" ;
dbp:inchikey "InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000286 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1y1C4ol" ;
skos:prefLabel "3-methylbutan-1-ol"@nl .
csc:KFSLWBXXFJQRDL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6585 ;
dbo:casNumber "89370-71-8" , "79-21-0" ;
dbo:formula "C2H4O3" ;
dbo:inchi "InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3" ;
dbo:iupacName "Ethaneperoxoic acid"@en ;
dbo:pubchem "6585"^^xsd:int ;
dbo:smiles "CC(=O)OO" ;
dbp:inchikey "InChIKey=KFSLWBXXFJQRDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002446 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "perOxHAc" ;
skos:prefLabel "peroxyazijnzuur"@nl .
csc:PRLINSMUYJWPBL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7380 ;
dbo:casNumber "98-28-2" ;
dbo:formula "C10H13ClO" ;
dbo:inchi "InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3" ;
dbo:iupacName "4-tert-Butyl-2-chlorophenol"@en ;
dbo:pubchem "7380"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)Cl" ;
dbp:inchikey "InChIKey=PRLINSMUYJWPBL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-chloor-4-tert-butylfenol"@nl .
csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:4685 ;
dbo:casNumber "106-46-7" , "73513-56-1" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H" ;
dbo:iupacName "1,4-Dichlorobenzene"@en ;
dbo:pubchem "4685"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1Cl)Cl" ;
dbp:inchikey "InChIKey=OCJBOOLMMGQPQU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 ;
skos:altLabel "1,4-dichloorbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_106-46-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DClBen" ;
skos:prefLabel "1,4-dichloorbenzeen "@nl ;
vcs:vmmParameterId "328"^^xsd:int .
csc:CKBRQZNRCSJHFT-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:167472 ;
dbo:casNumber "15840-03-6" ;
dbo:formula "Es" ;
dbo:inchi "InChI=1S/Es/i1+2" ;
dbo:iupacName "einsteinium-254"@en ;
dbo:pubchem "167472"^^xsd:int ;
dbo:smiles "[Es]" ;
dbp:inchikey "InChIKey=CKBRQZNRCSJHFT-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Es254" ;
skos:prefLabel "einsteinium 254"@nl .
csc:UUIQMZJEGPQKFD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12180 ;
dbo:casNumber "623-42-7" ;
dbo:formula "C5H10O2" ;
dbo:inchi "InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3" ;
dbo:iupacName "Methyl butanoate"@en ;
dbo:pubchem "12180"^^xsd:int ;
dbo:smiles "CCCC(=O)OC" ;
dbp:inchikey "InChIKey=UUIQMZJEGPQKFD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC4yat" ;
skos:prefLabel "methylbutylaat"@nl .
csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2328 ;
dbo:casNumber "12705-05-4" , "25057-89-0" , "58856-82-9" , "21723-40-0" ;
dbo:formula "C10H12N2O3S" ;
dbo:inchi "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3" ;
dbo:iupacName "2,2-dioxo-3-propan-2-yl-1H-benzo[d][1,2,6]thiadiazin-4-one"@en ;
dbo:pubchem "2328"^^xsd:int ;
dbo:smiles "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O" ;
dbp:inchikey "InChIKey=ZOMSMJKLGFBRBS-UHFFFAOYSA-N" ;
skos:altLabel "bentazone"@nl ;
skos:broader csc:CHEMONTID_0002448 ;
skos:exactMatch wise:CAS_25057-89-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bentzn" ;
skos:prefLabel "bentazon"@nl ;
vcs:vmmParameterId "456"^^xsd:int .
csc:YGYAWVDWMABLBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:6371 ;
dbo:casNumber "75-44-5" ;
dbo:formula "CCl2O" ;
dbo:inchi "InChI=1S/CCl2O/c2-1(3)4" ;
dbo:iupacName "Carbonyl dichloride"@en ;
dbo:pubchem "6371"^^xsd:int ;
dbo:smiles "C(=O)(Cl)Cl" ;
dbp:inchikey "InChIKey=YGYAWVDWMABLBF-UHFFFAOYSA-N" ;
skos:altLabel "fosgeen"@nl ;
skos:broader csc:CHEMONTID_0000550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosgn" ;
skos:prefLabel "fosgeen "@nl .
csc:BWLUMTFWVZZZND-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7656 ;
dbo:casNumber "306991-23-1" , "103-49-1" ;
dbo:formula "C14H15N" ;
dbo:inchi "InChI=1S/C14H15N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2" ;
dbo:iupacName "1-phenyl-N-(phenylmethyl)methanamine"@en ;
dbo:pubchem "7656"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CNCC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=BWLUMTFWVZZZND-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000185 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DbenzAe" ;
skos:prefLabel "dibenzylamine"@nl .
csc:WAPNOHKVXSQRPX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7409 ;
dbo:casNumber "98-85-1" , "1517-69-7" , "13323-81-4" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3" ;
dbo:iupacName "1-Phenylethanol"@en ;
dbo:pubchem "7409"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)O" ;
dbp:inchikey "InChIKey=WAPNOHKVXSQRPX-UHFFFAOYSA-N" ;
skos:altLabel "(r)-1-fenylethanol"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "R1FyC2ol" ;
skos:prefLabel "(R)-1-fenylethanol"@nl .
csc:IYXMNTLBLQNMLM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12205 ;
dbo:casNumber "624-18-0" ;
dbo:formula "C6H10Cl2N2" ;
dbo:inchi "InChI=1S/C6H8N2.2ClH/c7-5-1-2-6(8)4-3-5;;/h1-4H,7-8H2;2*1H" ;
dbo:iupacName "benzene-1,4-diamine dihydrochloride"@en ;
dbo:pubchem "12205"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)N.Cl.Cl" ;
dbp:inchikey "InChIKey=IYXMNTLBLQNMLM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DAoBenDHCl" ;
skos:prefLabel "1,4-diaminobenzeen dihydrochloride"@nl .
csc:GFZPUWKGPNHWHD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:109968 ;
dbo:casNumber "68298-12-4" ;
dbo:formula "C5H4F9NO2S" ;
dbo:inchi "InChI=1S/C5H4F9NO2S/c1-15-18(16,17)5(13,14)3(8,9)2(6,7)4(10,11)12/h15H,1H3" ;
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide"@en ;
dbo:pubchem "109968"^^xsd:int ;
dbo:smiles "CNS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F" ;
dbp:inchikey "InChIKey=GFZPUWKGPNHWHD-UHFFFAOYSA-N" ;
skos:altLabel "n-methylperfluor-n-butaansulfonamide (mepfbsa)"@nl , "n-methylperfluor-n-butaansulfonamide"@nl ;
skos:broader csc:CHEMONTID_0001585 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NC1yPFC4asfA" ;
skos:prefLabel "N-methylperfluorbutaansulfonamide"@nl .
csc:ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:323 ;
dbo:casNumber "91-64-5" ;
dbo:formula "C9H6O2" ;
dbo:inchi "InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H" ;
dbo:iupacName "chromen-2-one"@en ;
dbo:pubchem "323"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC(=O)O2" ;
dbp:inchikey "InChIKey=ZYGHJZDHTFUPRJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "coumrn" ;
skos:prefLabel "coumarin"@nl .
csc:QPQKUYVSJWQSDY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6051 ;
dbo:casNumber "60-09-3" , "81691-68-1" , "25548-34-9" ;
dbo:formula "C12H11N3" ;
dbo:inchi "InChI=1S/C12H11N3/c13-10-6-8-12(9-7-10)15-14-11-4-2-1-3-5-11/h1-9H,13H2" ;
dbo:iupacName "4-phenyldiazenylaniline"@en ;
dbo:pubchem "6051"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N" ;
dbp:inchikey "InChIKey=QPQKUYVSJWQSDY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4AoazBen" ;
skos:prefLabel "4-aminoazobenzeen"@nl .
csc:ZZMVLMVFYMGSMY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13101 ;
dbo:casNumber "76600-84-5" , "793-24-8" , "50809-58-0" ;
dbo:formula "C18H24N2" ;
dbo:inchi "InChI=1S/C18H24N2/c1-14(2)13-15(3)19-17-9-11-18(12-10-17)20-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3" ;
dbo:iupacName "N-(4-methylpentan-2-yl)-N'-phenylbenzene-1,4-diamine"@en ;
dbo:pubchem "13101"^^xsd:int ;
dbo:smiles "CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=ZZMVLMVFYMGSMY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yC4yAoDF" ;
skos:prefLabel "4-(dimethylbutylamino)-difenylamine"@nl .
csc:JEDYYFXHPAIBGR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11826859 ;
dbo:casNumber "134605-64-4" ;
dbo:formula "C20H18ClF3N2O6" ;
dbo:inchi "InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3" ;
dbo:iupacName "(2-methyl-1-oxo-1-prop-2-enoxypropan-2-yl) 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]benzoate"@en ;
dbo:pubchem "11826859"^^xsd:int ;
dbo:smiles "CC(C)(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)N2C(=O)C=C(N(C2=O)C)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=JEDYYFXHPAIBGR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "butfncl" ;
skos:prefLabel "butafenacil"@nl .
csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2519 ;
dbo:casNumber "95789-13-2" , "58-08-2" , "71701-02-5" ;
dbo:formula "C8H10N4O2" ;
dbo:inchi "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3" ;
dbo:iupacName "1,3,7-trimethylpurine-2,6-dione"@en ;
dbo:pubchem "2519"^^xsd:int ;
dbo:smiles "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" ;
dbp:inchikey "InChIKey=RYYVLZVUVIJVGH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000247 ;
skos:exactMatch wise:CAS_58-08-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "caffine" ;
skos:prefLabel "caffeine"@nl ;
vcs:vmmParameterId "867"^^xsd:int .
csc:OIAGWXKSCXPNNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:65743 ;
dbo:casNumber "83-15-8" ;
dbo:formula "C13H15N3O2" ;
dbo:inchi "InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)" ;
dbo:iupacName "N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide"@en ;
dbo:pubchem "65743"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C" ;
dbp:inchikey "InChIKey=OIAGWXKSCXPNNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002019 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nact4Aoatprn" ;
skos:prefLabel "N-acetyl-4-aminoantipyrine"@nl .
csc:YUVKUEAFAVKILW-SECBINFHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91733 ;
dbo:casNumber "83066-88-0" ;
dbo:formula "C15H12F3NO4" ;
dbo:inchi "InChI=1S/C15H12F3NO4/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-9H,1H3,(H,20,21)/t9-/m1/s1" ;
dbo:iupacName "(2R)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "91733"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F" ;
dbp:inchikey "InChIKey=YUVKUEAFAVKILW-SECBINFHSA-N" ;
skos:altLabel "fluazifop-p"@nl ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluazfpP" ;
skos:prefLabel "fluazifop-P"@nl .
csc:ZIBCESDMUREVIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:115122 ;
dbo:casNumber "8065-62-1" ;
dbo:formula "C10H26O6P2S4" ;
dbo:inchi "InChI=1S/2C5H13O3PS2/c1-7-9(6,8-2)11-5-4-10-3;1-6-9(10,7-2)8-4-5-11-3/h2*4-5H2,1-3H3" ;
dbo:iupacName "dimethoxy-(2-methylsulfanylethoxy)-sulfanylidenephosphorane; 1-dimethoxyphosphorylsulfanyl-2-methylsulfanylethane"@en ;
dbo:pubchem "115122"^^xsd:int ;
dbo:smiles "COP(=O)(OC)SCCSC.COP(=S)(OC)OCCSC" ;
dbp:inchikey "InChIKey=ZIBCESDMUREVIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003384 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "demfon" ;
skos:prefLabel "demefion"@nl .
csc:CZZZABOKJQXEBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7250 ;
dbo:casNumber "95-68-1" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-8(9)7(2)5-6/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,4-Dimethylaniline"@en ;
dbo:pubchem "7250"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)N)C" ;
dbp:inchikey "InChIKey=CZZZABOKJQXEBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24xyldne" ;
skos:prefLabel "2,4-xylidine"@nl .
csc:AXGUBXVWZBFQGA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22094 ;
dbo:casNumber "5836-10-2" ;
dbo:formula "C17H16Cl2O3" ;
dbo:inchi "InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3" ;
dbo:iupacName "propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "22094"^^xsd:int ;
dbo:smiles "CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=AXGUBXVWZBFQGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClC3yat" ;
skos:prefLabel "chloorpropylaat"@nl .
csc:HPYNBECUCCGGPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:92430 ;
dbo:casNumber "105024-66-6" ;
dbo:formula "C25H29FO2Si" ;
dbo:inchi "InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3" ;
dbo:iupacName "(4-ethoxyphenyl)-[3-[4-fluoro-3-(phenoxy)phenyl]propyl]-dimethylsilane"@en ;
dbo:pubchem "92430"^^xsd:int ;
dbo:smiles "CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=HPYNBECUCCGGPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "silfofn" ;
skos:prefLabel "silafluofen"@nl .
csc:RHPUJHQBPORFGV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14855 ;
dbo:casNumber "1570-64-5" ;
dbo:formula "C7H7ClO" ;
dbo:inchi "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3" ;
dbo:iupacName "4-Chloro-2-methylphenol"@en ;
dbo:pubchem "14855"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)O" ;
dbp:inchikey "InChIKey=RHPUJHQBPORFGV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001274 ;
skos:exactMatch wise:CAS_1570-64-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2C1yFol" ;
skos:prefLabel "4-chloor-2-methylfenol"@nl ;
vcs:vmmParameterId "360"^^xsd:int .
csc:IMFACGCPASFAPR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7622 ;
dbo:casNumber "102-82-9" , "168153-19-3" ;
dbo:formula "C12H27N" ;
dbo:inchi "InChI=1S/C12H27N/c1-4-7-10-13(11-8-5-2)12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "N,N-dibutylbutan-1-amine"@en ;
dbo:pubchem "7622"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)CCCC" ;
dbp:inchikey "InChIKey=IMFACGCPASFAPR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yAe" ;
skos:prefLabel "tributylamine"@nl .
csc:MXWAGQASUDSFBG-RVDMUPIBSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:9954185 ;
dbo:casNumber "229977-93-9" ;
dbo:formula "C20H21F3N2O5" ;
dbo:inchi "InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+" ;
dbo:iupacName "methyl (E)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate"@en ;
dbo:pubchem "9954185"^^xsd:int ;
dbo:smiles "CC(C)OC1=NC(=CC(=N1)OCC2=CC=CC=C2C(=COC)C(=O)OC)C(F)(F)F" ;
dbp:inchikey "InChIKey=MXWAGQASUDSFBG-RVDMUPIBSA-N" ;
skos:broader csc:CHEMONTID_0004203 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluacprm" ;
skos:prefLabel "fluacrypyrim"@nl .
csc:ZKHOYAKAFALNQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:41518 ;
dbo:casNumber "55682-92-3" ;
dbo:formula "C29H58O2" ;
dbo:inchi "InChI=1S/C29H58O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29(30)31-2/h3-28H2,1-2H3" ;
dbo:iupacName "METHYL OCTACOSANOATE"@en ;
dbo:pubchem "41518"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC" ;
dbp:inchikey "InChIKey=ZKHOYAKAFALNQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003417 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yC28aoat" ;
skos:prefLabel "methyloctacosanoaat"@nl .
csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:222548 ;
dbo:casNumber "465-73-6" ;
dbo:formula "C12H8Cl6" ;
dbo:inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+" ;
dbo:iupacName "(1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene"@en ;
dbo:pubchem "222548"^^xsd:int ;
dbo:smiles "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QBYJBZPUGVGKQQ-SEIHLVFNSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_465-73-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "idn" ;
skos:prefLabel "isodrin"@nl ;
vcs:vmmParameterId "251"^^xsd:int .
csc:ZPQOPVIELGIULI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10943 ;
dbo:casNumber "63697-17-6" , "541-73-1" ;
dbo:formula "C6H4Cl2" ;
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H" ;
dbo:iupacName "1,3-Dichlorobenzene"@en ;
dbo:pubchem "10943"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=ZPQOPVIELGIULI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_541-73-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DClBen" ;
skos:prefLabel "1,3-dichloorbenzeen"@nl ;
vcs:vmmParameterId "324"^^xsd:int .
csc:WYMSBXTXOHUIGT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9395 ;
dbo:casNumber "311-45-5" ;
dbo:formula "C10H14NO6P" ;
dbo:inchi "InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethyl (4-nitrophenyl) phosphate"@en ;
dbo:pubchem "9395"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=WYMSBXTXOHUIGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroonC2y" ;
skos:prefLabel "paraoxon-ethyl"@nl .
csc:OKIZCWYLBDKLSU-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6379 ;
dbo:casNumber "75-57-0" , "79098-37-6" , "51-92-3" ;
dbo:formula "C4H12ClN" ;
dbo:inchi "InChI=1S/C4H12N.ClH/c1-5(2,3)4;/h1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "tetramethylazanium chloride"@en ;
dbo:pubchem "6379"^^xsd:int ;
dbo:smiles "C[N+](C)(C)C.[Cl-]" ;
dbp:inchikey "InChIKey=OKIZCWYLBDKLSU-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C1yNH4Cl" ;
skos:prefLabel "tetramethylammoniumchloride"@nl .
csc:NGBBVGZWCFBOGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:1614 ;
dbo:casNumber "4764-17-4" ;
dbo:formula "C10H13NO2" ;
dbo:inchi "InChI=1S/C10H13NO2/c1-7(11)4-8-2-3-9-10(5-8)13-6-12-9/h2-3,5,7H,4,6,11H2,1H3" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)propan-2-amine"@en ;
dbo:pubchem "1614"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)N" ;
dbp:inchikey "InChIKey=NGBBVGZWCFBOGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxafA" ;
skos:prefLabel "3,4-methyleendioxyamfetamine"@nl .
csc:NHTMVDHEPJAVLT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10907 ;
dbo:casNumber "31921-36-5" , "540-84-1" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-7(2)6-8(3,4)5/h7H,6H2,1-5H3" ;
dbo:iupacName "2,2,4-Trimethylpentane"@en ;
dbo:pubchem "10907"^^xsd:int ;
dbo:smiles "CC(C)CC(C)(C)C" ;
dbp:inchikey "InChIKey=NHTMVDHEPJAVLT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "224TC1yC5a" ;
skos:prefLabel "2,2,4-trimethylpentaan"@nl .
csc:RZPAKFUAFGMUPI-QESOVKLGSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:72493 ;
dbo:casNumber "3922-90-5" ;
dbo:formula "C35H61NO12" ;
dbo:inchi "InChI=1S/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-15H2,1-11H3/t16-,17+,18-,19+,20+,21+,22+,23-,24-,25-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1" ;
dbo:iupacName "(3R,5S,6S,7R,8S,9R,12R,13R,14S,15R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-8-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5,7,9,12,13,15-hexamethyl-1,11-dioxaspiro[2.13]hexadecane-10,16-dione"@en ;
dbo:pubchem "72493"^^xsd:int ;
dbo:smiles "CC1CC(C(C(O1)OC2C(CC3(CO3)C(=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C)O)OC)C)C)C)O)C)C)O)N(C)C" ;
dbp:inchikey "InChIKey=RZPAKFUAFGMUPI-QESOVKLGSA-N" ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "oladmcn" ;
skos:prefLabel "oleandomycin"@nl .
csc:SYQBFIAQOQZEGI-FTXFMUIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167423 ;
dbo:casNumber "15766-50-4" ;
dbo:formula "Os" ;
dbo:inchi "InChI=1S/Os/i1-5" ;
dbo:iupacName "osmium-185"@en ;
dbo:pubchem "167423"^^xsd:int ;
dbo:smiles "[Os]" ;
dbp:inchikey "InChIKey=SYQBFIAQOQZEGI-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Os185" ;
skos:prefLabel "osmium 185"@nl .
csc:CSWBSLXBXRFNST-MQQKCMAXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1787910 ;
dbo:casNumber "76600-88-9" , "33956-49-9" ;
dbo:formula "C12H22O" ;
dbo:inchi "InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-5,13H,6-12H2,1H3/b3-2+,5-4+" ;
dbo:iupacName "['(8E,10E)-dodeca-8,10-dien-1-ol', 'dodeca-8,10-dien-1-ol']"@en ;
dbo:pubchem "1787910"^^xsd:int ;
dbo:smiles "CC=CC=CCCCCCCCO" ;
dbp:inchikey "InChIKey=CSWBSLXBXRFNST-MQQKCMAXSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "codlmn" ;
skos:prefLabel "codlemon"@nl .
csc:NPPQSCRMBWNHMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4064 ;
dbo:casNumber "57-53-4" ;
dbo:formula "C9H18N2O4" ;
dbo:inchi "InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13)" ;
dbo:iupacName "[2-(carbamoyloxymethyl)-2-methylpentyl] carbamate"@en ;
dbo:pubchem "4064"^^xsd:int ;
dbo:smiles "CCCC(C)(COC(=O)N)COC(=O)N" ;
dbp:inchikey "InChIKey=NPPQSCRMBWNHMW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001162 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mepbmt" ;
skos:prefLabel "meprobamaat"@nl .
csc:CXBMCYHAMVGWJQ-CABCVRRESA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24365 ;
dbo:casNumber "52556-74-8" , "7696-12-0" , "5284-41-3" , "28643-67-6" , "1166-46-7" ;
dbo:formula "C19H25NO4" ;
dbo:inchi "InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15+/m1/s1" ;
dbo:iupacName "(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en ;
dbo:pubchem "24365"^^xsd:int ;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCN2C(=O)C3=C(C2=O)CCCC3)C" ;
dbp:inchikey "InChIKey=CXBMCYHAMVGWJQ-CABCVRRESA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4mtn" ;
skos:prefLabel "tetramethrin"@nl .
csc:ZSIAUFGUXNUGDI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8103 ;
dbo:casNumber "220713-27-9" , "111-27-3" , "25917-35-5" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3" ;
dbo:iupacName "HEXAN-1-OL"@en ;
dbo:pubchem "8103"^^xsd:int ;
dbo:smiles "CCCCCCO" ;
dbp:inchikey "InChIKey=ZSIAUFGUXNUGDI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C6Ol" ;
skos:prefLabel "1-hexanol"@nl .
csc:CEBKHWWANWSNTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8258 ;
dbo:casNumber "115-19-5" , "140705-79-9" , "67539-62-2" ;
dbo:formula "C5H8O" ;
dbo:inchi "InChI=1S/C5H8O/c1-4-5(2,3)6/h1,6H,2-3H3" ;
dbo:iupacName "2-Methylbut-3-yn-2-ol"@en ;
dbo:pubchem "8258"^^xsd:int ;
dbo:smiles "CC(C)(C#C)O" ;
dbp:inchikey "InChIKey=CEBKHWWANWSNTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001373 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1y3C4yn2ol" ;
skos:prefLabel "2-methyl-3-butyn-2-ol"@nl .
csc:NYPJDWWKZLNGGM-BJKOFHAPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5361514 ;
dbo:casNumber "67890-40-8" , "66230-04-4" , "72650-28-3" ;
dbo:formula "C25H22ClNO3" ;
dbo:inchi "InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3/t23-,24+/m0/s1" ;
dbo:iupacName "[(R)-cyano-[3-(phenoxy)phenyl]methyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate"@en ;
dbo:pubchem "5361514"^^xsd:int ;
dbo:smiles "CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=NYPJDWWKZLNGGM-BJKOFHAPSA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "esfvlrt" ;
skos:prefLabel "esfenvaleraat"@nl .
csc:BIWJNBZANLAXMG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5993 ;
dbo:casNumber "53637-13-1" , "28181-89-7" , "52917-96-1" , "5103-71-9" , "57-74-9" , "39400-80-1" , "22212-52-8" , "17436-70-3" , "28140-46-7" , "67672-92-8" , "12789-03-6" , "33442-85-2" , "5103-74-2" , "52002-35-4" , "26703-86-6" ;
dbo:formula "C10H6Cl8" ;
dbo:inchi "InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2" ;
dbo:iupacName "1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene"@en ;
dbo:pubchem "5993"^^xsd:int ;
dbo:smiles "C1C2C(C(C1Cl)Cl)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BIWJNBZANLAXMG-UHFFFAOYSA-N" ;
skos:altLabel "cis-chloordaan trans-chloordaan"@nl , "trans-chloordaan"@nl , "cis-chloordaan"@nl ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_5103-71-9 , wise:CAS_5103-74-2 , wise:CAS_57-74-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cCldn" , "tCldn" , "Cldn" ;
skos:prefLabel "chloordaan"@nl ;
vcs:vmmParameterId "533"^^xsd:int , "532"^^xsd:int , "233"^^xsd:int .
csc:BLFLLBZGZJTVJG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2337 ;
dbo:casNumber "71123-91-6" , "94-09-7" ;
dbo:formula "C9H11NO2" ;
dbo:inchi "InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3" ;
dbo:iupacName "Ethyl 4-aminobenzoate"@en ;
dbo:pubchem "2337"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=C(C=C1)N" ;
dbp:inchikey "InChIKey=BLFLLBZGZJTVJG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzcine" ;
skos:prefLabel "benzocaine"@nl .
csc:QHMGJGNTMQDRQA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11008 ;
dbo:casNumber "544-85-4" ;
dbo:formula "C32H66" ;
dbo:inchi "InChI=1S/C32H66/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3" ;
dbo:iupacName "DOTRIACONTANE"@en ;
dbo:pubchem "11008"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=QHMGJGNTMQDRQA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C32a" ;
skos:prefLabel "dotriacontaan"@nl .
csc:DDBREPKUVSBGFI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4763 ;
dbo:casNumber "50-06-6" , "46755-67-3" , "11097-06-6" ;
dbo:formula "C12H12N2O3" ;
dbo:inchi "InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)" ;
dbo:iupacName "5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione"@en ;
dbo:pubchem "4763"^^xsd:int ;
dbo:smiles "CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=DDBREPKUVSBGFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenbbtl" ;
skos:prefLabel "fenobarbital"@nl .
csc:LQDARGUHUSPFNL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80277 ;
dbo:casNumber "112281-77-3" ;
dbo:formula "C13H11Cl2F4N3O" ;
dbo:inchi "InChI=1S/C13H11Cl2F4N3O/c14-9-1-2-10(11(15)3-9)8(4-22-7-20-6-21-22)5-23-13(18,19)12(16)17/h1-3,6-8,12H,4-5H2" ;
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole"@en ;
dbo:pubchem "80277"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)COC(C(F)F)(F)F" ;
dbp:inchikey "InChIKey=LQDARGUHUSPFNL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4cnzl" ;
skos:prefLabel "tetraconazool"@nl .
csc:YNAVUWVOSKDBBP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8083 ;
dbo:casNumber "147366-31-2" , "99108-56-2" , "61791-40-0" , "110-91-8" , "88542-81-8" , "96122-95-1" ;
dbo:formula "C4H9NO" ;
dbo:inchi "InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2" ;
dbo:iupacName "Morpholine"@en ;
dbo:pubchem "8083"^^xsd:int ;
dbo:smiles "C1COCCN1" ;
dbp:inchikey "InChIKey=YNAVUWVOSKDBBP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "morflne" ;
skos:prefLabel "morfoline"@nl .
csc:BXNANOICGRISHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2871 ;
dbo:casNumber "56-72-4" ;
dbo:formula "C14H16ClO5PS" ;
dbo:inchi "InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one"@en ;
dbo:pubchem "2871"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=CC2=C(C=C1)C(=C(C(=O)O2)Cl)C" ;
dbp:inchikey "InChIKey=BXNANOICGRISHX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000145 ;
skos:exactMatch wise:CAS_56-72-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cumfs" ;
skos:prefLabel "cumafos"@nl ;
vcs:vmmParameterId "486"^^xsd:int .
csc:VIDRYROWYFWGSY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:66245 ;
dbo:casNumber "959-24-0" ;
dbo:formula "C12H21ClN2O3S" ;
dbo:inchi "InChI=1S/C12H20N2O3S.ClH/c1-9(2)13-8-12(15)10-4-6-11(7-5-10)14-18(3,16)17;/h4-7,9,12-15H,8H2,1-3H3;1H" ;
dbo:iupacName "N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride"@en ;
dbo:pubchem "66245"^^xsd:int ;
dbo:smiles "CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl" ;
dbp:inchikey "InChIKey=VIDRYROWYFWGSY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sotalol, waterstofchloride"@nl .
csc:ZMQAAUBTXCXRIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5144 ;
dbo:casNumber "94-59-7" , "1406-55-9" , "8022-92-2" ;
dbo:formula "C10H10O2" ;
dbo:inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2" ;
dbo:iupacName "5-prop-2-enyl-1,3-benzodioxole"@en ;
dbo:pubchem "5144"^^xsd:int ;
dbo:smiles "C=CCC1=CC2=C(C=C1)OCO2" ;
dbp:inchikey "InChIKey=ZMQAAUBTXCXRIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "safl" ;
skos:prefLabel "safrol"@nl .
csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:51130 ;
dbo:casNumber "70648-26-9" ;
dbo:formula "C12H2Cl6O" ;
dbo:inchi "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H" ;
dbo:iupacName "1,2,3,4,7,8-HEXACHLORODIBENZOFURAN"@en ;
dbo:pubchem "51130"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LVYBAQIVPKCOEE-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,4,7,8-hexachloordibenzofuraan"@nl , "1,2,3,4,7,8-hexachloordibenzofuran"@nl , "1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_70648-26-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF118" ;
skos:prefLabel "1,2,3,4,7,8-hexachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1240"^^xsd:int .
csc:PSQYTAPXSHCGMF-BQYQJAHWSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:638014 ;
dbo:casNumber "14901-07-6" , "79-77-6" , "35031-06-2" ;
dbo:formula "C13H20O" ;
dbo:inchi "InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+" ;
dbo:iupacName "['4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one', '(E)-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one']"@en ;
dbo:pubchem "638014"^^xsd:int ;
dbo:smiles "CC1=C(C(CCC1)(C)C)C=CC(=O)C" ;
dbp:inchikey "InChIKey=PSQYTAPXSHCGMF-BQYQJAHWSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4266TC1y1ccC" ;
skos:prefLabel "4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-on"@nl .
csc:WMOVHXAZOJBABW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10908 ;
dbo:casNumber "540-88-5" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5(7)8-6(2,3)4/h1-4H3" ;
dbo:iupacName "tert-Butyl acetate"@en ;
dbo:pubchem "10908"^^xsd:int ;
dbo:smiles "CC(=O)OC(C)(C)C" ;
dbp:inchikey "InChIKey=WMOVHXAZOJBABW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_004 , co:LUC_IV_012 ;
skos:altLabel "tertiair-butylacetaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ttC4yactt" ;
skos:prefLabel "t-butylacetaat"@nl .
csc:SXHLTVKPNQVZGL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38034 ;
dbo:casNumber "38444-84-7" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-4-1-3-8(7-9)10-5-2-6-11(14)12(10)15/h1-7H" ;
dbo:iupacName "1,2-dichloro-3-(3-chlorophenyl)benzene"@en ;
dbo:pubchem "38034"^^xsd:int ;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=C(C(=CC=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=SXHLTVKPNQVZGL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB20" ;
skos:prefLabel "2,3,3'-trichloorbifenyl"@nl .
csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:727 ;
dbo:casNumber "8007-42-9" , "39284-22-5" , "25897-48-7" , "319-86-8" , "58-89-9" , "55963-79-6" , "20437-97-2" , "8073-23-2" , "6108-10-7" , "60291-32-9" , "6108-13-0" , "319-85-7" , "6108-12-9" , "319-84-6" , "89609-19-8" , "53529-37-6" , "608-73-1" , "6108-11-8" ;
dbo:formula "C6H6Cl6" ;
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H" ;
dbo:iupacName "1,2,3,4,5,6-Hexachlorocyclohexane"@en ;
dbo:pubchem "727"^^xsd:int ;
dbo:smiles "C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JLYXXMFPNIAWKQ-UHFFFAOYSA-N" ;
skos:altLabel "eta-hexachloorcyclohexaan"@nl , "alfa-hexachloorcyclohexaan"@nl , "β-hexachloorcyclo-hexaan (β-hch)"@nl , "delta-hexachloorcyclohexaan"@nl , "hexachloorcyclohexaan, alle isomeren"@nl , "epsilon-hexachloorcyclohexaan"@nl , "som hexachloorcyclohexaan-isomeren"@nl , "α-hexachloorcyclo-hexaan (α-hch)"@nl , "σ-hexachloorcyclo-hexaan (σ-hch)"@nl , "beta-hexachloorcyclohexaan (beta-hch)"@nl , "delta-hexachloorcyclohexaan (delta-hch)"@nl , "gamma-hexachloorcyclohexaan (lindaan)"@nl , "gamma-hexachloorcyclohexaan (gamma-hch, lindaan)"@nl , "y-hexachloorcyclo-hexaan (y-hch)"@nl , "gamma-hexachloorcyclohexaan"@nl , "alfa-hexachloorcyclohexaan (alfa-hch)"@nl ;
skos:broader csc:CHEMONTID_0004485 ;
skos:exactMatch wise:CAS_319-84-6 , wise:CAS_58-89-9 , wise:CAS_319-85-7 , wise:CAS_608-73-1 , wise:CAS_6108-10-7 , wise:CAS_319-86-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sHCH" , "dHCH" , "hHCH" , "cHCH" , "eHCH" , "bHCH" , "aHCH" ;
skos:prefLabel "beta-hexachloorcyclohexaan"@nl ;
vcs:vmmParameterId "247"^^xsd:int , "1205"^^xsd:int , "250"^^xsd:int , "248"^^xsd:int , "246"^^xsd:int , "249"^^xsd:int .
csc:MZHCENGPTKEIGP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8427 ;
dbo:casNumber "120-36-5" , "7547-66-2" ;
dbo:formula "C9H8Cl2O3" ;
dbo:inchi "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)" ;
dbo:iupacName "2-(2,4-Dichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "8427"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl" ;
dbp:inchikey "InChIKey=MZHCENGPTKEIGP-UHFFFAOYSA-N" ;
skos:altLabel "dichlorprop"@nl , "2,4-dichloorfenoxypropionzuur"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:exactMatch wise:CAS_120-36-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DP" ;
skos:prefLabel "dichloorprop"@nl ;
vcs:vmmParameterId "234"^^xsd:int .
csc:OSDLLIBGSJNGJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2723 ;
dbo:casNumber "88-04-0" ;
dbo:formula "C8H9ClO" ;
dbo:inchi "InChI=1S/C8H9ClO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,1-2H3" ;
dbo:iupacName "4-Chloro-3,5-dimethylphenol"@en ;
dbo:pubchem "2723"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1Cl)C)O" ;
dbp:inchikey "InChIKey=OSDLLIBGSJNGJE-UHFFFAOYSA-N" ;
skos:altLabel "4-chloor-3,5-dimethylfenol"@nl ;
skos:broader csc:CHEMONTID_0001273 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "clxlnl" ;
skos:prefLabel "chloorxylenol"@nl .
csc:TZBJGXHYKVUXJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5280961 ;
dbo:casNumber "446-72-0" ;
dbo:formula "C15H10O5" ;
dbo:inchi "InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H" ;
dbo:iupacName "5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one"@en ;
dbo:pubchem "5280961"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O" ;
dbp:inchikey "InChIKey=TZBJGXHYKVUXJN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gensn" ;
skos:prefLabel "genistein"@nl .
csc:CRBJBYGJVIBWIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6943 ;
dbo:casNumber "88-69-7" , "25168-06-3" ;
dbo:formula "C9H12O" ;
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3" ;
dbo:iupacName "2-propan-2-ylphenol"@en ;
dbo:pubchem "6943"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1O" ;
dbp:inchikey "InChIKey=CRBJBYGJVIBWIY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2iC3yFol" ;
skos:prefLabel "2-isopropylfenol"@nl .
csc:FIKAKWIAUPDISJ-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:15938 ;
dbo:casNumber "136338-65-3" , "57593-74-5" , "65982-50-5" , "1910-42-5" , "247050-57-3" , "3765-78-4" , "205105-68-6" ;
dbo:formula "C12H14Cl2N2" ;
dbo:inchi "InChI=1S/C12H14N2.2ClH/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;;/h3-10H,1-2H3;2*1H/q+2;;/p-2" ;
dbo:iupacName "1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium dichloride"@en ;
dbo:pubchem "15938"^^xsd:int ;
dbo:smiles "C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-].[Cl-]" ;
dbp:inchikey "InChIKey=FIKAKWIAUPDISJ-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000326 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pqtDCl" ;
skos:prefLabel "paraquat-dichloride"@nl .
csc:ZPIFKCVYZBVZIV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10000 ;
dbo:casNumber "673-93-8" , "460-35-5" ;
dbo:formula "C3H4ClF3" ;
dbo:inchi "InChI=1S/C3H4ClF3/c4-2-1-3(5,6)7/h1-2H2" ;
dbo:iupacName "['3-Chloro-1,1,1-trifluoropropane', '1-chloro-3,3,3-trifluoroprop-1-yne']"@en ;
dbo:pubchem "10000"^^xsd:int ;
dbo:smiles "C(CCl)C(F)(F)F" ;
dbp:inchikey "InChIKey=ZPIFKCVYZBVZIV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK253fb" ;
skos:prefLabel "3-chloor-1,1,1-trifluorpropaan"@nl .
csc:GUVRBAGPIYLISA-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:161013 ;
dbo:casNumber "13982-00-8" ;
dbo:formula "Ta" ;
dbo:inchi "InChI=1S/Ta/i1+1" ;
dbo:iupacName "tantalum-182"@en ;
dbo:pubchem "161013"^^xsd:int ;
dbo:smiles "[Ta]" ;
dbp:inchikey "InChIKey=GUVRBAGPIYLISA-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ta182" ;
skos:prefLabel "tantalum 182"@nl .
csc:CLMQUEQFVUMDPC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21484 ;
dbo:casNumber "5388-62-5" ;
dbo:formula "C6H4ClN3O4" ;
dbo:inchi "InChI=1S/C6H4ClN3O4/c7-3-1-4(9(11)12)6(8)5(2-3)10(13)14/h1-2H,8H2" ;
dbo:iupacName "4-Chloro-2,6-dinitroaniline"@en ;
dbo:pubchem "21484"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=CLMQUEQFVUMDPC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl26DNO2An" ;
skos:prefLabel "4-chloor-2,6-dinitroaniline"@nl .
csc:SNRUBQQJIBEYMU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:8182 ;
dbo:casNumber "93924-07-3" , "112-40-3" , "129813-67-8" ;
dbo:formula "C12H26" ;
dbo:inchi "InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3" ;
dbo:iupacName "Dodecane"@en ;
dbo:pubchem "8182"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=SNRUBQQJIBEYMU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12a" ;
skos:prefLabel "dodecaan"@nl .
csc:ZKXDGKXYMTYWTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6046 ;
dbo:casNumber "67587-56-8" , "59-89-2" ;
dbo:formula "C4H8N2O2" ;
dbo:inchi "InChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2" ;
dbo:iupacName "4-Nitrosomorpholine"@en ;
dbo:pubchem "6046"^^xsd:int ;
dbo:smiles "C1COCCN1N=O" ;
dbp:inchikey "InChIKey=ZKXDGKXYMTYWTB-UHFFFAOYSA-N" ;
skos:altLabel "N-nitrosomorfoline"@nl ;
skos:broader csc:CHEMONTID_0000392 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNO2smflne" ;
skos:prefLabel "n-nitrosomorfoline"@nl .
csc:RTNLUFLDZOAXIC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:16692 ;
dbo:casNumber "2234-13-1" ;
dbo:formula "C10Cl8" ;
dbo:inchi "InChI=1S/C10Cl8/c11-3-1-2(5(13)9(17)7(3)15)6(14)10(18)8(16)4(1)12" ;
dbo:iupacName "1,2,3,4,5,6,7,8-Octachloronaphthalene"@en ;
dbo:pubchem "16692"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RTNLUFLDZOAXIC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OcClNaf" ;
skos:prefLabel "octachloornaftaleen"@nl .
csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4115 ;
dbo:casNumber "72-43-5" ;
dbo:formula "C16H15Cl3O2" ;
dbo:inchi "InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3" ;
dbo:iupacName "1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene"@en ;
dbo:pubchem "4115"^^xsd:int ;
dbo:smiles "COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=IAKOZHOLGAGEJT-UHFFFAOYSA-N" ;
skos:altLabel "p,p’-methoxychlor"@nl ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_72-43-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxCl" ;
skos:prefLabel "methoxychloor"@nl ;
vcs:vmmParameterId "254"^^xsd:int .
csc:JUZNIMUFDBIJCM-ANEDZVCMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:150610 ;
dbo:casNumber "153832-46-3" ;
dbo:formula "C22H25N3O7S" ;
dbo:inchi "InChI=1S/C22H25N3O7S/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32)/t9-,10-,13+,14+,15-,16-/m1/s1" ;
dbo:iupacName "(4R,5S,6S)-3-[(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "150610"^^xsd:int ;
dbo:smiles "CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)C(C)O" ;
dbp:inchikey "InChIKey=JUZNIMUFDBIJCM-ANEDZVCMSA-N" ;
skos:broader csc:CHEMONTID_0002362 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ertpnm" ;
skos:prefLabel "ertapenem"@nl .
csc:DNRJTBAOUJJKDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:89440 ;
dbo:casNumber "131433-13-1" , "21145-77-7" , "1506-02-1" ;
dbo:formula "C18H26O" ;
dbo:inchi "InChI=1S/C18H26O/c1-11-8-16-15(9-14(11)13(3)19)17(4,5)10-12(2)18(16,6)7/h8-9,12H,10H2,1-7H3" ;
dbo:iupacName "1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone"@en ;
dbo:pubchem "89440"^^xsd:int ;
dbo:smiles "CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C" ;
dbp:inchikey "InChIKey=DNRJTBAOUJJKDY-UHFFFAOYSA-N" ;
skos:altLabel "tonalide"@nl ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AHTN" , "ATHN" ;
skos:prefLabel "acetylhexamethyltetrahydronaftaleen"@nl .
csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'HCl'"@nl , "VLAR II bijl. 2.5.1 'chloorwaterstof'"@nl , "VLAR III (D3) 'waterstofchloride (HCl)'"@nl , "VLAR II (D5, diverse art) 'HCl'"@nl ;
rdfs:seeAlso compound:313 ;
dbo:casNumber "7647-01-0" , "113962-65-5" , "51005-19-7" , "61674-62-2" , "218625-68-4" ;
dbo:formula "ClH" ;
dbo:inchi "InChI=1S/ClH/h1H" ;
dbo:iupacName "['hydrogen chloride', 'hydron chloride']"@en ;
dbo:pubchem "313"^^xsd:int ;
dbo:smiles "Cl" ;
dbp:inchikey "InChIKey=VEXZGXHMUGYJMC-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_001 ;
skos:altLabel "zoutzuur"@nl ;
skos:broader csc:CHEMONTID_0000548 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCl" ;
skos:prefLabel "waterstofchloride"@nl .
csc:GRLPQNLYRHEGIJ-UHFFFAOYSA-J
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24856 ;
dbo:casNumber "10043-01-3" , "131315-49-6" , "10043-67-1" ;
dbo:formula "AlKO8S2" ;
dbo:inchi "InChI=1S/Al.K.2H2O4S/c;;2*1-5(2,3)4/h;;2*(H2,1,2,3,4)/q+3;+1;;/p-4" ;
dbo:iupacName "Aluminum potassium disulfate"@en ;
dbo:pubchem "24856"^^xsd:int ;
dbo:smiles "[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[K+]" ;
dbp:inchikey "InChIKey=GRLPQNLYRHEGIJ-UHFFFAOYSA-J" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "AlSO4" ;
skos:prefLabel "aluminiumsulfaat"@nl .
csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl ;
rdfs:seeAlso compound:18636 ;
dbo:casNumber "3268-87-9" ;
dbo:formula "C12Cl8O2" ;
dbo:inchi "InChI=1S/C12Cl8O2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10" ;
dbo:iupacName "1,2,3,4,6,7,8,9-octachlorooxanthrene"@en ;
dbo:pubchem "18636"^^xsd:int ;
dbo:smiles "C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FOIBFBMSLDGNHL-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "octachloordibenzo-para-dioxine"@nl , "octachloordibenzodioxine"@nl , "octachloordibenzodioxine (ocdd)"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_3268-87-9 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD75" ;
skos:prefLabel "1,2,3,4,6,7,8,9-octachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "1252"^^xsd:int .
csc:UJOBWOGCFQCDNV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6854 ;
dbo:casNumber "86-74-8" ;
dbo:formula "C12H9N" ;
dbo:inchi "InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H" ;
dbo:iupacName "9H-Carbazole"@en ;
dbo:pubchem "6854"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3N2" ;
dbp:inchikey "InChIKey=UJOBWOGCFQCDNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carbzl" ;
skos:prefLabel "carbazol"@nl .
csc:YEHGKFOTJWYCBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:229159 ;
dbo:casNumber "6316-30-9" ;
dbo:formula "C18H28O2" ;
dbo:inchi "InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-13-16-20-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3" ;
dbo:iupacName "Undecyl benzoate"@en ;
dbo:pubchem "229159"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCOC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=YEHGKFOTJWYCBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C11ybzat" ;
skos:prefLabel "undecylbenzoaat"@nl .
csc:IGUYEXXAGBDLLX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51574 ;
dbo:casNumber "84332-86-5" , "72391-46-9" ;
dbo:formula "C13H11Cl2NO5" ;
dbo:inchi "InChI=1S/C13H11Cl2NO5/c1-3-20-11(18)13(2)10(17)16(12(19)21-13)9-5-7(14)4-8(15)6-9/h4-6H,3H2,1-2H3" ;
dbo:iupacName "ethyl 3-(3,5-dichlorophenyl)-5-methyl-2,4-dioxo-1,3-oxazolidine-5-carboxylate"@en ;
dbo:pubchem "51574"^^xsd:int ;
dbo:smiles "CCOC(=O)C1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C" ;
dbp:inchikey "InChIKey=IGUYEXXAGBDLLX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "chlozlnt" ;
skos:prefLabel "chlozolinaat"@nl .
csc:HJJVPARKXDDIQD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3444 ;
dbo:casNumber "116255-48-2" ;
dbo:formula "C13H12BrCl2N3O" ;
dbo:inchi "InChI=1S/C13H12BrCl2N3O/c14-9-4-13(20-5-9,6-19-8-17-7-18-19)11-2-1-10(15)3-12(11)16/h1-3,7-9H,4-6H2" ;
dbo:iupacName "1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole"@en ;
dbo:pubchem "3444"^^xsd:int ;
dbo:smiles "C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)Br" ;
dbp:inchikey "InChIKey=HJJVPARKXDDIQD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bromcnzl" ;
skos:prefLabel "bromuconazool"@nl .
csc:GTKRZJVAXAQBMB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:93139 ;
dbo:casNumber "30614-22-3" ;
dbo:formula "C10H16N4O2" ;
dbo:inchi "InChI=1S/C10H16N4O2/c1-6-7(2)12-9(11-3)13-8(6)16-10(15)14(4)5/h1-5H3,(H,11,12,13)" ;
dbo:iupacName "(5,6-dimethyl-2-methylaminopyrimidin-4-yl) N,N-dimethylcarbamate"@en ;
dbo:pubchem "93139"^^xsd:int ;
dbo:smiles "CC1=C(N=C(N=C1OC(=O)N(C)C)NC)C" ;
dbp:inchikey "InChIKey=GTKRZJVAXAQBMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001262 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pirmcdC1y" ;
skos:prefLabel "pirimicarb-desmethyl"@nl .
csc:NIFKBBMCXCMCAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11409499 ;
dbo:casNumber "208465-21-8" ;
dbo:formula "C17H21N5O9S2" ;
dbo:inchi "InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)" ;
dbo:iupacName "methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-(methanesulfonamidomethyl)benzoate"@en ;
dbo:pubchem "11409499"^^xsd:int ;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNS(=O)(=O)C)C(=O)OC)OC" ;
dbp:inchikey "InChIKey=NIFKBBMCXCMCAO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004705 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "messfrnC1y" ;
skos:prefLabel "mesosulfuron-methyl"@nl .
csc:JWEOEZZCZCCPJL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:241520 ;
dbo:casNumber "700-46-9" ;
dbo:formula "C9H8N2" ;
dbo:inchi "InChI=1S/C9H8N2/c1-7-8-4-2-3-5-9(8)11-6-10-7/h2-6H,1H3" ;
dbo:iupacName "4-Methylquinazoline"@en ;
dbo:pubchem "241520"^^xsd:int ;
dbo:smiles "CC1=NC=NC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=JWEOEZZCZCCPJL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1yqnzlne" ;
skos:prefLabel "4-methylquinazoline"@nl .
csc:QBSJMKIUCUGGNG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:17517 ;
dbo:casNumber "2631-40-5" ;
dbo:formula "C11H15NO2" ;
dbo:inchi "InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)" ;
dbo:iupacName "(2-propan-2-ylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "17517"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=QBSJMKIUCUGGNG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ipcb" ;
skos:prefLabel "isoprocarb"@nl .
csc:HCAJEUSONLESMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7533 ;
dbo:casNumber "45951-45-9" , "100-88-9" ;
dbo:formula "C6H13NO3S" ;
dbo:inchi "InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)" ;
dbo:iupacName "Cyclohexylsulfamic acid"@en ;
dbo:pubchem "7533"^^xsd:int ;
dbo:smiles "C1CCC(CC1)NS(=O)(=O)O" ;
dbp:inchikey "InChIKey=HCAJEUSONLESMK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000365 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycmt" ;
skos:prefLabel "cyclamaat"@nl .
csc:LXCLPHJRGDTDDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3013925 ;
dbo:casNumber "654-36-4" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(8)6(11)5(10)4(2)9/h1H,11H2" ;
dbo:iupacName "2,3,4,6-Tetrachloroaniline"@en ;
dbo:pubchem "3013925"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)N)Cl" ;
dbp:inchikey "InChIKey=LXCLPHJRGDTDDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2346T4ClAn" ;
skos:prefLabel "2,3,4,6-tetrachlooraniline"@nl .
csc:PWHULOQIROXLJO-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104743 ;
dbo:casNumber "13966-31-9" ;
dbo:formula "Mn" ;
dbo:inchi "InChI=1S/Mn/i1-1" ;
dbo:iupacName "manganese-54"@en ;
dbo:pubchem "104743"^^xsd:int ;
dbo:smiles "[Mn]" ;
dbp:inchikey "InChIKey=PWHULOQIROXLJO-BJUDXGSMSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mn54" ;
skos:prefLabel "mangaan 54"@nl .
csc:ZSLUVFAKFWKJRC-FTXFMUIASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:61806 ;
dbo:casNumber "15623-47-9" ;
dbo:formula "Th" ;
dbo:inchi "InChI=1S/Th/i1-5" ;
dbo:iupacName "thorium-227"@en ;
dbo:pubchem "61806"^^xsd:int ;
dbo:smiles "[Th]" ;
dbp:inchikey "InChIKey=ZSLUVFAKFWKJRC-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Th227" ;
skos:prefLabel "thorium 227"@nl .
csc:WNVCMFHPRIBNCW-HTQZYQBOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:41285 ;
dbo:casNumber "55013-32-6" ;
dbo:formula "C9H16O2" ;
dbo:inchi "InChI=1S/C9H16O2/c1-3-4-5-8-7(2)6-9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1" ;
dbo:iupacName "(4R,5R)-5-butyl-4-methyloxolan-2-one"@en ;
dbo:pubchem "41285"^^xsd:int ;
dbo:smiles "CCCCC1C(CC(=O)O1)C" ;
dbp:inchikey "InChIKey=WNVCMFHPRIBNCW-HTQZYQBOSA-N" ;
skos:altLabel "cis-5-butyldihydro-4-methyl-2(3h)furanon"@nl ;
skos:broader csc:CHEMONTID_0001245 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c5C4yH4C1y23" ;
skos:prefLabel "cis-5-butyldihydro-4-methyl-2(3H)furanon"@nl .
csc:FCXPVFLEDIQLLO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20636 ;
dbo:casNumber "4534-53-6" ;
dbo:formula "C19H32" ;
dbo:inchi "InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3" ;
dbo:iupacName "tridecan-2-ylbenzene"@en ;
dbo:pubchem "20636"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(C)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=FCXPVFLEDIQLLO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1yC12yBen" ;
skos:prefLabel "1-methyldodecylbenzeen"@nl .
csc:PKJSRUTWBDIWAR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62817 ;
dbo:casNumber "26896-20-8" ;
dbo:formula "C10H20O2" ;
dbo:inchi "InChI=1S/C10H20O2/c1-5-10(4,9(11)12)7-6-8(2)3/h8H,5-7H2,1-4H3,(H,11,12)" ;
dbo:iupacName "2-ethyl-2,5-dimethylhexanoic acid"@en ;
dbo:pubchem "62817"^^xsd:int ;
dbo:smiles "CCC(C)(CCC(C)C)C(=O)O" ;
dbp:inchikey "InChIKey=PKJSRUTWBDIWAR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "neoC10azr" ;
skos:prefLabel "neodecaanzuur"@nl .
csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:9033 ;
dbo:casNumber "9077-52-5" , "99932-76-0" , "66456-64-2" , "96956-22-8" , "96956-23-9" , "145379-92-6" , "151-56-4" , "39289-19-5" , "81210-09-5" , "81210-07-3" , "69522-69-6" , "92047-44-4" , "68130-98-3" , "9002-98-6" , "68130-99-4" , "81210-08-4" , "96956-24-0" ;
dbo:formula "C2H5N" ;
dbo:inchi "InChI=1S/C2H5N/c1-2-3-1/h3H,1-2H2" ;
dbo:iupacName "Aziridine"@en ;
dbo:pubchem "9033"^^xsd:int ;
dbo:smiles "C1CN1" ;
dbp:inchikey "InChIKey=NOWKCMXCCJGMRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000103 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeimne" ;
skos:prefLabel "ethyleenimine"@nl .
csc:CJJOSEISRRTUQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2268 ;
dbo:casNumber "54182-73-9" , "86-50-0" ;
dbo:formula "C10H12N3O3PS2" ;
dbo:inchi "InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3" ;
dbo:iupacName "3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one"@en ;
dbo:pubchem "2268"^^xsd:int ;
dbo:smiles "COP(=S)(OC)SCN1C(=O)C2=CC=CC=C2N=N1" ;
dbp:inchikey "InChIKey=CJJOSEISRRTUQB-UHFFFAOYSA-N" ;
skos:altLabel "methylazinfos"@nl ;
skos:broader csc:CHEMONTID_0004660 ;
skos:exactMatch wise:CAS_86-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yazfs" ;
skos:prefLabel "azinfos-methyl"@nl ;
vcs:vmmParameterId "394"^^xsd:int , "1080"^^xsd:int .
csc:GLUUGHFHXGJENI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4837 ;
dbo:casNumber "8057-14-5" , "81546-15-8" , "8027-81-4" , "110-85-0" , "8017-90-1" ;
dbo:formula "C4H10N2" ;
dbo:inchi "InChI=1S/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2" ;
dbo:iupacName "Piperazine"@en ;
dbo:pubchem "4837"^^xsd:int ;
dbo:smiles "C1CNCCN1" ;
dbp:inchikey "InChIKey=GLUUGHFHXGJENI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yeDAe" ;
skos:prefLabel "diethyleendiamine"@nl .
csc:HBGGXOJOCNVPFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:590836 ;
dbo:casNumber "28553-12-0" , "68515-48-0" ;
dbo:formula "C26H42O4" ;
dbo:inchi "InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3" ;
dbo:iupacName "bis(7-methyloctyl) benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "590836"^^xsd:int ;
dbo:smiles "CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=HBGGXOJOCNVPFY-UHFFFAOYSA-N" ;
skos:altLabel "di-isononylftalaat (mix van isomeren)"@nl , "diisononylftalaat"@nl ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C9D810akFt" , "DiC9yFt" ;
skos:prefLabel "C9-rijk di-C8-10-vertakt alkylftalaat"@nl .
csc:OBETXYAYXDNJHR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8697 ;
dbo:casNumber "56006-48-5" , "61788-37-2" , "149-57-5" , "202054-39-5" , "83829-68-9" ;
dbo:formula "C8H16O2" ;
dbo:inchi "InChI=1S/C8H16O2/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)" ;
dbo:iupacName "2-Ethylhexanoic acid"@en ;
dbo:pubchem "8697"^^xsd:int ;
dbo:smiles "CCCCC(CC)C(=O)O" ;
dbp:inchikey "InChIKey=OBETXYAYXDNJHR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6azr" ;
skos:prefLabel "2-ethylhexaanzuur"@nl .
csc:WYEMLYFITZORAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:213013 ;
dbo:casNumber "188425-85-6" ;
dbo:formula "C18H12Cl2N2O" ;
dbo:inchi "InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)" ;
dbo:iupacName "2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide"@en ;
dbo:pubchem "213013"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(N=CC=C3)Cl" ;
dbp:inchikey "InChIKey=WYEMLYFITZORAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004712 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "boscld" ;
skos:prefLabel "boscalid"@nl .
csc:IVDRCZNHVGQBHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:47455 ;
dbo:casNumber "64700-56-7" , "64470-88-8" ;
dbo:formula "C13H16Cl3NO4" ;
dbo:inchi "InChI=1S/C13H16Cl3NO4/c1-2-3-4-19-5-6-20-11(18)8-21-13-10(15)7-9(14)12(16)17-13/h7H,2-6,8H2,1H3" ;
dbo:iupacName "2-butoxyethyl 2-(3,5,6-trichloropyridin-2-yl)oxyacetate"@en ;
dbo:pubchem "47455"^^xsd:int ;
dbo:smiles "CCCCOCCOC(=O)COC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IVDRCZNHVGQBHZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcpC4OxC2yEs" ;
skos:prefLabel "triclopyr-butoxyethylester"@nl .
csc:NATVSFWWYVJTAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12471 ;
dbo:casNumber "634-93-5" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-4(8)6(10)5(9)2-3/h1-2H,10H2" ;
dbo:iupacName "2,4,6-Trichloroaniline"@en ;
dbo:pubchem "12471"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)N)Cl)Cl" ;
dbp:inchikey "InChIKey=NATVSFWWYVJTAZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TClAn" ;
skos:prefLabel "2,4,6-trichlooraniline"@nl .
csc:RWPICVVBGZBXNA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:22932 ;
dbo:casNumber "6422-86-2" , "144981-82-8" ;
dbo:formula "C24H38O4" ;
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3" ;
dbo:iupacName "bis(2-ethylhexyl) benzene-1,4-dicarboxylate"@en ;
dbo:pubchem "22932"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC" ;
dbp:inchikey "InChIKey=RWPICVVBGZBXNA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004012 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DEHTP" ;
skos:prefLabel "bis(2-ethylhexyl)tereftalaat"@nl .
csc:PQFRTXSWDXZRRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5094 ;
dbo:casNumber "7681-76-7" ;
dbo:formula "C6H8N4O4" ;
dbo:inchi "InChI=1S/C6H8N4O4/c1-9-4(3-14-6(7)11)8-2-5(9)10(12)13/h2H,3H2,1H3,(H2,7,11)" ;
dbo:iupacName "(1-Methyl-5-nitroimidazol-2-yl)methyl carbamate"@en ;
dbo:pubchem "5094"^^xsd:int ;
dbo:smiles "CN1C(=CN=C1COC(=O)N)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=PQFRTXSWDXZRRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rondzl" ;
skos:prefLabel "ronidazol"@nl .
csc:IXSZQYVWNJNRAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:153974 ;
dbo:casNumber "153233-91-1" ;
dbo:formula "C21H23F2NO2" ;
dbo:inchi "InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3" ;
dbo:iupacName "4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole"@en ;
dbo:pubchem "153974"^^xsd:int ;
dbo:smiles "CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F" ;
dbp:inchikey "InChIKey=IXSZQYVWNJNRAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etxzl" ;
skos:prefLabel "etoxazool"@nl .
csc:UWVQIROCRJWDKL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:53735 ;
dbo:casNumber "77732-09-3" ;
dbo:formula "C14H18N2O4" ;
dbo:inchi "InChI=1S/C14H18N2O4/c1-10-5-4-6-11(2)13(10)16(12(17)9-19-3)15-7-8-20-14(15)18/h4-6H,7-9H2,1-3H3" ;
dbo:iupacName "N-(2,6-dimethylphenyl)-2-methoxy-N-(2-oxo-1,3-oxazolidin-3-yl)acetamide"@en ;
dbo:pubchem "53735"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O" ;
dbp:inchikey "InChIKey=UWVQIROCRJWDKL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "OaDxl" ;
skos:prefLabel "oxadixyl"@nl .
csc:WFKWXMTUELFFGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23964 ;
dbo:casNumber "7440-33-7" , "37374-90-6" , "22541-98-6" ;
dbo:formula "W" ;
dbo:inchi "InChI=1S/W" ;
dbo:iupacName "Tungsten"@en ;
dbo:pubchem "23964"^^xsd:int ;
dbo:smiles "[W]" ;
dbp:inchikey "InChIKey=WFKWXMTUELFFGS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:exactMatch wise:CAS_7440-33-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "W" ;
skos:prefLabel "wolfraam"@nl ;
vcs:vmmParameterId "1980"^^xsd:int , "680"^^xsd:int .
csc:RTKIYFITIVXBLE-WKWSCTOISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6376322 ;
dbo:casNumber "58880-19-6" ;
dbo:formula "C17H22N2O3" ;
dbo:inchi "InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+" ;
dbo:iupacName "['7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide', '(2E,4E)-7-(4-dimethylaminophenyl)-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide']"@en ;
dbo:pubchem "6376322"^^xsd:int ;
dbo:smiles "CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "InChIKey=RTKIYFITIVXBLE-WKWSCTOISA-N" ;
skos:altLabel "trichostatin a"@nl ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TcstnA" ;
skos:prefLabel "trichostatin A"@nl .
csc:YTTFFPATQICAQN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14846 ;
dbo:casNumber "1589-47-5" , "148616-44-8" , "28677-93-2" ;
dbo:formula "C4H10O2" ;
dbo:inchi "InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3" ;
dbo:iupacName "2-methoxypropan-1-ol"@en ;
dbo:pubchem "14846"^^xsd:int ;
dbo:smiles "CC(CO)OC" ;
dbp:inchikey "InChIKey=YTTFFPATQICAQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1ox1C3ol" ;
skos:prefLabel "2-methoxy-1-propanol"@nl .
csc:JDUYPUMQALQRCN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7565 ;
dbo:casNumber "101-55-3" ;
dbo:formula "C12H9BrO" ;
dbo:inchi "InChI=1S/C12H9BrO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H" ;
dbo:iupacName "1-bromo-4-(phenoxy)benzene"@en ;
dbo:pubchem "7565"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=C(C=C2)Br" ;
dbp:inchikey "InChIKey=JDUYPUMQALQRCN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001845 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4BrFyFyEtr" ;
skos:prefLabel "4-broomfenylfenylether"@nl .
csc:XFBJRFNXPUCPKU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:17304 ;
dbo:casNumber "2524-03-0" ;
dbo:formula "C2H6ClO2PS" ;
dbo:inchi "InChI=1S/C2H6ClO2PS/c1-4-6(3,7)5-2/h1-2H3" ;
dbo:iupacName "chloro-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "17304"^^xsd:int ;
dbo:smiles "COP(=S)(OC)Cl" ;
dbp:inchikey "InChIKey=XFBJRFNXPUCPKU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001572 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yCltoPO4" ;
skos:prefLabel "dimethylchloorthiofosfaat"@nl .
csc:WBHQEUPUMONIKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37036 ;
dbo:casNumber "35065-29-3" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H" ;
dbo:iupacName "1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37036"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=WBHQEUPUMONIKF-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "PCB-180"@nl , "2,2',3,4,4',5,5'-heptachloorbifenyl"@nl , "2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)"@nl , "pcb-180"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-29-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB180" ;
skos:prefLabel "pcb 180"@nl ;
vcs:vmmParameterId "437"^^xsd:int , "1416"^^xsd:int .
csc:OFCNXPDARWKPPY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2094 ;
dbo:casNumber "184856-42-6" , "315-30-0" , "39464-14-7" , "22767-92-6" ;
dbo:formula "C5H4N4O" ;
dbo:inchi "InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)" ;
dbo:iupacName "1,2-dihydropyrazolo[4,3-e]pyrimidin-4-one"@en ;
dbo:pubchem "2094"^^xsd:int ;
dbo:smiles "C1=C2C(=NC=NC2=O)NN1" ;
dbp:inchikey "InChIKey=OFCNXPDARWKPPY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004387 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "allprnl" ;
skos:prefLabel "allopurinol"@nl .
csc:SOGAXMICEFXMKE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7354 ;
dbo:casNumber "55126-77-7" , "37226-35-0" , "122526-41-4" , "97-88-1" , "51568-49-1" , "9003-63-8" , "180254-70-0" , "62169-30-6" , "106152-15-2" , "55922-77-5" , "53801-42-6" , "79331-93-4" , "102135-84-2" , "159172-35-7" , "9011-15-8" , "66828-11-3" ;
dbo:formula "C8H14O2" ;
dbo:inchi "InChI=1S/C8H14O2/c1-4-5-6-10-8(9)7(2)3/h2,4-6H2,1,3H3" ;
dbo:iupacName "butyl 2-methylprop-2-enoate"@en ;
dbo:pubchem "7354"^^xsd:int ;
dbo:smiles "CCCCOC(=O)C(=C)C" ;
dbp:inchikey "InChIKey=SOGAXMICEFXMKE-UHFFFAOYSA-N" ;
skos:altLabel "butylmethacrylaat"@nl ;
skos:broader csc:CHEMONTID_0003626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4ymtclt" ;
skos:prefLabel "n-butylmetacrylaat"@nl .
csc:HJUFTIJOISQSKQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51605 ;
dbo:casNumber "79127-80-3" , "72490-01-8" ;
dbo:formula "C17H19NO4" ;
dbo:inchi "InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)" ;
dbo:iupacName "ethyl N-[2-[4-(phenoxy)phenoxy]ethyl]carbamate"@en ;
dbo:pubchem "51605"^^xsd:int ;
dbo:smiles "CCOC(=O)NCCOC1=CC=C(C=C1)OC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=HJUFTIJOISQSKQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenOxcb" ;
skos:prefLabel "fenoxycarb"@nl .
csc:QSHDDOUJBYECFT-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104771 ;
dbo:casNumber "13982-78-0" ;
dbo:formula "Hg" ;
dbo:inchi "InChI=1S/Hg/i1+2" ;
dbo:iupacName "mercury-203"@en ;
dbo:pubchem "104771"^^xsd:int ;
dbo:smiles "[Hg]" ;
dbp:inchikey "InChIKey=QSHDDOUJBYECFT-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hg203" ;
skos:prefLabel "kwik 203"@nl .
csc:HIHCTGNZNHSZPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23536 ;
dbo:casNumber "7149-75-9" ;
dbo:formula "C7H8ClN" ;
dbo:inchi "InChI=1S/C7H8ClN/c1-5-4-6(9)2-3-7(5)8/h2-4H,9H2,1H3" ;
dbo:iupacName "4-Chloro-3-methylaniline"@en ;
dbo:pubchem "23536"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)N)Cl" ;
dbp:inchikey "InChIKey=HIHCTGNZNHSZPP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl3C1yAn" ;
skos:prefLabel "4-chloor-3-methylaniline"@nl .
csc:BFPYWIDHMRZLRN-SLHNCBLASA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5991 ;
dbo:casNumber "57-63-6" , "77538-56-8" ;
dbo:formula "C20H24O2" ;
dbo:inchi "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1" ;
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol"@en ;
dbo:pubchem "5991"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O" ;
dbp:inchikey "InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N" ;
skos:altLabel "ethinylestradiol"@nl ;
skos:broader csc:CHEMONTID_0003570 ;
skos:exactMatch wise:CAS_57-63-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etnetDol" ;
skos:prefLabel "17-alfa-ethinylestradiol"@nl ;
vcs:vmmParameterId "966"^^xsd:int .
csc:CJPQIRJHIZUAQP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:51369 ;
dbo:casNumber "71626-11-4" ;
dbo:formula "C20H23NO3" ;
dbo:inchi "InChI=1S/C20H23NO3/c1-14-9-8-10-15(2)19(14)21(16(3)20(23)24-4)18(22)13-17-11-6-5-7-12-17/h5-12,16H,13H2,1-4H3" ;
dbo:iupacName "methyl 2-[(2,6-dimethylphenyl)-(2-phenylacetyl)amino]propanoate"@en ;
dbo:pubchem "51369"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)CC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=CJPQIRJHIZUAQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benlxl" ;
skos:prefLabel "benalaxyl"@nl .
csc:VAYOSLLFUXYJDT-RDTXWAMCSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5761 ;
dbo:casNumber "50-37-3" ;
dbo:formula "C20H25N3O" ;
dbo:inchi "InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1" ;
dbo:iupacName "(6aR,9R)-N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"@en ;
dbo:pubchem "5761"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C" ;
dbp:inchikey "InChIKey=VAYOSLLFUXYJDT-RDTXWAMCSA-N" ;
skos:broader csc:CHEMONTID_0002680 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "LSD" ;
skos:prefLabel "lysergide"@nl .
csc:ILBONRFSLATCRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:13689 ;
dbo:casNumber "99910-17-5" , "947-02-4" ;
dbo:formula "C7H14NO3PS2" ;
dbo:inchi "InChI=1S/C7H14NO3PS2/c1-3-10-12(9,11-4-2)8-7-13-5-6-14-7/h3-6H2,1-2H3" ;
dbo:iupacName "N-diethoxyphosphoryl-1,3-dithiolan-2-imine"@en ;
dbo:pubchem "13689"^^xsd:int ;
dbo:smiles "CCOP(=O)(N=C1SCCS1)OCC" ;
dbp:inchikey "InChIKey=ILBONRFSLATCRE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000408 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosfln" ;
skos:prefLabel "fosfolan"@nl .
csc:DQRQIQZHRCRSDB-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8725 ;
dbo:casNumber "137-41-7" ;
dbo:formula "C2H4KNS2" ;
dbo:inchi "InChI=1S/C2H5NS2.K/c1-3-2(4)5;/h1H3,(H2,3,4,5);/q;+1/p-1" ;
dbo:iupacName "potassium methylaminomethanedithioate"@en ;
dbo:pubchem "8725"^^xsd:int ;
dbo:smiles "CN=C(S)[S-].[K+]" ;
dbp:inchikey "InChIKey=DQRQIQZHRCRSDB-UHFFFAOYSA-M" ;
skos:altLabel "kalium n-methyldithiocarbamaat"@nl ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KNC1yDtocbmt" ;
skos:prefLabel "kalium N-methyldithiocarbamaat"@nl .
csc:WFKSADNZWSKCRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:38090 ;
dbo:casNumber "38727-55-8" , "51142-20-2" , "52002-01-4" , "62180-86-3" ;
dbo:formula "C16H22ClNO3" ;
dbo:inchi "InChI=1S/C16H22ClNO3/c1-4-12-8-7-9-13(5-2)16(12)18(14(19)10-17)11-15(20)21-6-3/h7-9H,4-6,10-11H2,1-3H3" ;
dbo:iupacName "ethyl 2-[(2-chloroacetyl)-(2,6-diethylphenyl)amino]acetate"@en ;
dbo:pubchem "38090"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(CC(=O)OCC)C(=O)CCl" ;
dbp:inchikey "InChIKey=WFKSADNZWSKCRZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DettC2y" ;
skos:prefLabel "diethatylethyl"@nl .
csc:STJXCDGCXVZHDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9134 ;
dbo:casNumber "194-59-2" , "28641-62-5" ;
dbo:formula "C20H13N" ;
dbo:inchi "InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12,21H" ;
dbo:iupacName "12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene"@en ;
dbo:pubchem "9134"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=CC=CC=C54" ;
dbp:inchikey "InChIKey=STJXCDGCXVZHDU-UHFFFAOYSA-N" ;
skos:altLabel "7h-dibenzo(c,g)carbazol"@nl ;
skos:broader csc:CHEMONTID_0000210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "7HDbzcgcbzl" ;
skos:prefLabel "7H-dibenzo(c,g)carbazol"@nl .
csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2730 ;
dbo:casNumber "12768-48-8" , "39475-55-3" , "2921-88-2" ;
dbo:formula "C9H11Cl3NO3PS" ;
dbo:inchi "InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3" ;
dbo:iupacName "diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane"@en ;
dbo:pubchem "2730"^^xsd:int ;
dbo:smiles "CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=SBPBAQFWLVIOKP-UHFFFAOYSA-N" ;
skos:altLabel "ethylchloorpyrifos"@nl , "chloorpyrifos"@nl , "chlorpyrifos"@nl ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_2921-88-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yClprfs" ;
skos:prefLabel "chloorpyrifos-ethyl"@nl ;
vcs:vmmParameterId "686"^^xsd:int .
csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:213021 ;
dbo:casNumber "160430-64-8" , "135410-20-7" ;
dbo:formula "C10H11ClN4" ;
dbo:inchi "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3" ;
dbo:iupacName "N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide"@en ;
dbo:pubchem "213021"^^xsd:int ;
dbo:smiles "CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl" ;
dbp:inchikey "InChIKey=WCXDHFDTOYPNIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004532 ;
skos:exactMatch wise:CAS_135410-20-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actmpd" ;
skos:prefLabel "acetamiprid"@nl ;
vcs:vmmParameterId "1505"^^xsd:int .
csc:KAATUXNTWXVJKI-DXCJPMOASA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:49833 ;
dbo:casNumber "67375-30-8" , "70982-02-4" ;
dbo:formula "C22H19Cl2NO3" ;
dbo:inchi "InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1" ;
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en ;
dbo:pubchem "49833"^^xsd:int ;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C" ;
dbp:inchikey "InChIKey=KAATUXNTWXVJKI-DXCJPMOASA-N" ;
skos:broader csc:CHEMONTID_0001461 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "acpmtn" ;
skos:prefLabel "alfa-cypermethrin"@nl .
csc:ADPGKKZKGXANON-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61495 ;
dbo:casNumber "12001-15-9" , "10213-79-3" , "1344-09-8" ;
dbo:formula "H10Na2O8Si" ;
dbo:inchi "InChI=1S/2Na.O3Si.5H2O/c;;1-4(2)3;;;;;/h;;;5*1H2/q2*+1;-2;;;;;" ;
dbo:iupacName "disodium dioxido-oxosilane pentahydrate"@en ;
dbo:pubchem "61495"^^xsd:int ;
dbo:smiles "O.O.O.O.O.[O-][Si](=O)[O-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=ADPGKKZKGXANON-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaSiO2" ;
skos:prefLabel "natriumsilicaat"@nl .
csc:KDSNLYIMUZNERS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6558 ;
dbo:casNumber "78-81-9" ;
dbo:formula "C4H11N" ;
dbo:inchi "InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3" ;
dbo:iupacName "2-methylpropan-1-amine"@en ;
dbo:pubchem "6558"^^xsd:int ;
dbo:smiles "CC(C)CN" ;
dbp:inchikey "InChIKey=KDSNLYIMUZNERS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC4yAe" ;
skos:prefLabel "isobutylamine"@nl .
csc:JHRWWRDRBPCWTF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17038 ;
dbo:casNumber "2425-06-1" , "2939-80-2" , "61913-12-0" , "30017-05-1" ;
dbo:formula "C10H9Cl4NO2S" ;
dbo:inchi "InChI=1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2" ;
dbo:iupacName "2-(1,1,2,2-tetrachloroethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en ;
dbo:pubchem "17038"^^xsd:int ;
dbo:smiles "C1C=CCC2C1C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=JHRWWRDRBPCWTF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001820 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "captfl" ;
skos:prefLabel "captafol"@nl .
csc:RUDINRUXCKIXAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:67822 ;
dbo:casNumber "376-06-7" ;
dbo:formula "C14HF27O2" ;
dbo:inchi "InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid"@en ;
dbo:pubchem "67822"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=RUDINRUXCKIXAJ-UHFFFAOYSA-N" ;
skos:altLabel "perfluor-n-tetradecaanzuur (pfteda)"@nl , "perfluortetradecaanzuur"@nl ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFTeDA" ;
skos:prefLabel "perfluor-n-tetradecaanzuur"@nl .
csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7238 ;
dbo:casNumber "95-49-8" ;
dbo:formula "C7H7Cl" ;
dbo:inchi "InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3" ;
dbo:iupacName "1-Chloro-2-methylbenzene"@en ;
dbo:pubchem "7238"^^xsd:int ;
dbo:smiles "CC1=CC=CC=C1Cl" ;
dbp:inchikey "InChIKey=IBSQPLPBRSHTTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:exactMatch wise:CAS_95-49-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2ClTol" ;
skos:prefLabel "2-chloortolueen"@nl ;
vcs:vmmParameterId "353"^^xsd:int .
csc:PCZHWPSNPWAQNF-LMOVPXPDSA-K
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:219084 ;
dbo:casNumber "135326-11-3" ;
dbo:formula "C23H30GdN3O11" ;
dbo:inchi "InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3/t17-;/m0./s1" ;
dbo:iupacName "2-[[(2S)-2-[bis(2-oxido-2-oxoethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation; hydron"@en ;
dbo:pubchem "219084"^^xsd:int ;
dbo:smiles "[H+].[H+].CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3]" ;
dbp:inchikey "InChIKey=PCZHWPSNPWAQNF-LMOVPXPDSA-K" ;
skos:broader csc:CHEMONTID_0002995 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "gadxzr" ;
skos:prefLabel "gadoxeetzuur"@nl .
csc:FYOFOKCECDGJBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:26040 ;
dbo:casNumber "37220-42-1" , "36823-35-5" , "540770-45-4" , "13463-40-6" ;
dbo:formula "C5FeO5" ;
dbo:inchi "InChI=1S/5CO.Fe/c5*1-2;" ;
dbo:iupacName "carbon monoxide; iron"@en ;
dbo:pubchem "26040"^^xsd:int ;
dbo:smiles "C=O.C=O.C=O.C=O.C=O.[Fe]" ;
dbp:inchikey "InChIKey=FYOFOKCECDGJBF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001270 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "FePecbnl" ;
skos:prefLabel "ijzerpentacarbonyl"@nl .
csc:RBACIKXCRWGCBB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7834 ;
dbo:casNumber "1331-08-4" , "106-88-7" , "55555-96-9" , "26249-20-7" , "59915-64-9" , "26140-56-7" , "38721-59-4" , "28347-41-3" ;
dbo:formula "C4H8O" ;
dbo:inchi "InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3" ;
dbo:iupacName "2-Ethyloxirane"@en ;
dbo:pubchem "7834"^^xsd:int ;
dbo:smiles "CCC1CO1" ;
dbp:inchikey "InChIKey=RBACIKXCRWGCBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000159 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C4yeO" ;
skos:prefLabel "1,2-butyleenoxide"@nl .
csc:SPPWGCYEYAMHDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7486 ;
dbo:casNumber "100-18-5" , "700-18-5" ;
dbo:formula "C12H18" ;
dbo:inchi "InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3" ;
dbo:iupacName "1,4-di(propan-2-yl)benzene"@en ;
dbo:pubchem "7486"^^xsd:int ;
dbo:smiles "CC(C)C1=CC=C(C=C1)C(C)C" ;
dbp:inchikey "InChIKey=SPPWGCYEYAMHDT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000051 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DiC3yeBen" ;
skos:prefLabel "1,4-di-isopropylbenzeen"@nl .
csc:AOMUHOFOVNGZAN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8430 ;
dbo:casNumber "72968-36-6" , "83590-20-9" , "39341-48-5" , "15517-64-3" , "83452-99-7" , "92680-75-6" , "120-40-1" ;
dbo:formula "C16H33NO3" ;
dbo:inchi "InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3" ;
dbo:iupacName "N,N-Bis(2-hydroxyethyl)dodecanamide"@en ;
dbo:pubchem "8430"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(=O)N(CCO)CCO" ;
dbp:inchikey "InChIKey=AOMUHOFOVNGZAN-UHFFFAOYSA-N" ;
skos:altLabel "dodecaanamide n,n-bis2-hydroxyethyl"@nl ;
skos:broader csc:CHEMONTID_0001096 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12aAdNNb2Ho" ;
skos:prefLabel "dodecaanamide N,N-bis2-hydroxyethyl"@nl .
csc:DAFHKNAQFPVRKR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6490 ;
dbo:casNumber "25134-27-4" , "80525-37-7" , "77-68-9" , "141136-23-4" , "25265-77-4" , "129383-05-7" ;
dbo:formula "C12H24O3" ;
dbo:inchi "InChI=1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3" ;
dbo:iupacName "(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate"@en ;
dbo:pubchem "6490"^^xsd:int ;
dbo:smiles "CC(C)C(C(C)(C)COC(=O)C(C)C)O" ;
dbp:inchikey "InChIKey=DAFHKNAQFPVRKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "texanl" ;
skos:prefLabel "texanol"@nl .
csc:RSXXYTIHSOOFBG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:297310 ;
dbo:casNumber "36209-71-9" ;
dbo:formula "C12H15NO3" ;
dbo:inchi "InChI=1S/C12H15NO3/c1-8(13-9(2)14)5-10-3-4-11-12(6-10)16-7-15-11/h3-4,6,8H,5,7H2,1-2H3,(H,13,14)" ;
dbo:iupacName "N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]acetamide"@en ;
dbo:pubchem "297310"^^xsd:int ;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)NC(=O)C" ;
dbp:inchikey "InChIKey=RSXXYTIHSOOFBG-UHFFFAOYSA-N" ;
skos:altLabel "N-acetyl-3,4-methyleendioxyamfetamine"@nl ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Nact34C1yeDO" ;
skos:prefLabel "n-acetyl-3,4-methyleendioxyamfetamine"@nl .
csc:LGDSHSYDSCRFAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11167 ;
dbo:casNumber "556-61-6" ;
dbo:formula "C2H3NS" ;
dbo:inchi "InChI=1S/C2H3NS/c1-3-2-4/h1H3" ;
dbo:iupacName "methylimino-sulfanylidenemethane"@en ;
dbo:pubchem "11167"^^xsd:int ;
dbo:smiles "CN=C=S" ;
dbp:inchikey "InChIKey=LGDSHSYDSCRFAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001234 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yitoCN" ;
skos:prefLabel "methylisothiocyanaat"@nl .
csc:ODNRTOSCFYDTKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:35364 ;
dbo:casNumber "1795-27-3" , "1839-63-0" , "1795-26-2" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3" ;
dbo:iupacName "1,3,5-Trimethylcyclohexane"@en ;
dbo:pubchem "35364"^^xsd:int ;
dbo:smiles "CC1CC(CC(C1)C)C" ;
dbp:inchikey "InChIKey=ODNRTOSCFYDTKF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135TC1yccC6a" ;
skos:prefLabel "1,3,5-trimethylcyclohexaan"@nl .
csc:HNDLJIIQWDVRRI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:248472 ;
dbo:casNumber "778-83-6" ;
dbo:formula "C9H7Cl3O3" ;
dbo:inchi "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-6(11)2-5(10)3-7(8)12/h2-4H,1H3,(H,13,14)" ;
dbo:iupacName "2-(2,4,6-trichlorophenoxy)propanoic acid"@en ;
dbo:pubchem "248472"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HNDLJIIQWDVRRI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2246TClfOxpp" ;
skos:prefLabel "2-(2,4,6-trichloorfenoxy)propion zuur"@nl .
csc:QUWSDLYBOVGOCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16685 ;
dbo:casNumber "2227-13-6" ;
dbo:formula "C12H6Cl4S" ;
dbo:inchi "InChI=1S/C12H6Cl4S/c13-7-1-3-8(4-2-7)17-12-6-10(15)9(14)5-11(12)16/h1-6H" ;
dbo:iupacName "1,2,4-trichloro-5-(4-chlorophenyl)sulfanylbenzene"@en ;
dbo:pubchem "16685"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1SC2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QUWSDLYBOVGOCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003864 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4sl" ;
skos:prefLabel "tetrasul"@nl .
csc:XJUZRXYOEPSWMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7864 ;
dbo:casNumber "107-30-2" ;
dbo:formula "C2H5ClO" ;
dbo:inchi "InChI=1S/C2H5ClO/c1-4-2-3/h2H2,1H3" ;
dbo:iupacName "chloro-methoxymethane"@en ;
dbo:pubchem "7864"^^xsd:int ;
dbo:smiles "COCCl" ;
dbp:inchikey "InChIKey=XJUZRXYOEPSWMB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ClDC1yEtr" ;
skos:prefLabel "chloordimethylether"@nl .
csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:8857 ;
dbo:casNumber "141-78-6" ;
dbo:formula "C4H8O2" ;
dbo:inchi "InChI=1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3" ;
dbo:iupacName "Ethyl acetate"@en ;
dbo:pubchem "8857"^^xsd:int ;
dbo:smiles "CCOC(=O)C" ;
dbp:inchikey "InChIKey=XEKOWRVHYACXOJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_012 , co:LUC_IV_000 , co:LUC_IV_004 ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yactt" ;
skos:prefLabel "ethylacetaat"@nl .
csc:AJYPYWFCUWHZMZ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6365369 ;
dbo:casNumber "129396-21-0" , "32113-41-0" , "10066-90-7" ;
dbo:formula "C8H8KNO5S" ;
dbo:inchi "InChI=1S/C8H9NO5S.K/c1-6(10)9-7-2-4-8(5-3-7)14-15(11,12)13;/h2-5H,1H3,(H,9,10)(H,11,12,13);/q;+1/p-1" ;
dbo:iupacName "potassium (4-acetamidophenyl) sulfate"@en ;
dbo:pubchem "6365369"^^xsd:int ;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)[O-].[K+]" ;
dbp:inchikey "InChIKey=AJYPYWFCUWHZMZ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002626 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "actmnpSO4Esr" ;
skos:prefLabel "acetaminophen sulfaatester"@nl .
csc:FGIWFCGDPUIBEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:37995 ;
dbo:casNumber "38260-54-7" ;
dbo:formula "C10H17N2O4PS" ;
dbo:inchi "InChI=1S/C10H17N2O4PS/c1-5-8-11-9(15-6-2)7-10(12-8)16-17(18,13-3)14-4/h7H,5-6H2,1-4H3" ;
dbo:iupacName "(6-ethoxy-2-ethylpyrimidin-4-yl)oxy-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "37995"^^xsd:int ;
dbo:smiles "CCC1=NC(=CC(=N1)OP(=S)(OC)OC)OCC" ;
dbp:inchikey "InChIKey=FGIWFCGDPUIBEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etfs" ;
skos:prefLabel "etrimfos"@nl .
csc:RMIODHQZRUFFFF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12251 ;
dbo:casNumber "625-45-6" ;
dbo:formula "C3H6O3" ;
dbo:inchi "InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)" ;
dbo:iupacName "2-Methoxyacetic acid"@en ;
dbo:pubchem "12251"^^xsd:int ;
dbo:smiles "COCC(=O)O" ;
dbp:inchikey "InChIKey=RMIODHQZRUFFFF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxHAc" ;
skos:prefLabel "methoxyazijnzuur"@nl .
csc:APQIUTYORBAGEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11201 ;
dbo:casNumber "557-91-5" , "25620-62-6" ;
dbo:formula "C2H4Br2" ;
dbo:inchi "InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3" ;
dbo:iupacName "1,1-DIBROMOETHANE"@en ;
dbo:pubchem "11201"^^xsd:int ;
dbo:smiles "CC(Br)Br" ;
dbp:inchikey "InChIKey=APQIUTYORBAGEZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "11DBrC2a" ;
skos:prefLabel "1,1-dibroomethaan"@nl .
csc:IMHBYKMAHXWHRP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7541 ;
dbo:casNumber "101-05-3" ;
dbo:formula "C9H5Cl3N4" ;
dbo:inchi "InChI=1S/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)" ;
dbo:iupacName "4,6-Dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine"@en ;
dbo:pubchem "7541"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IMHBYKMAHXWHRP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "anlzne" ;
skos:prefLabel "anilazine"@nl .
csc:IOPTXXRNXCPJGO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:119490 ;
dbo:casNumber "53380-23-7" ;
dbo:formula "C11H15NO4S" ;
dbo:inchi "InChI=1S/C11H15NO4S/c1-3-17(14,15)8-9-6-4-5-7-10(9)16-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)" ;
dbo:iupacName "[2-(ethylsulfonylmethyl)phenyl] N-methylcarbamate"@en ;
dbo:pubchem "119490"^^xsd:int ;
dbo:smiles "CCS(=O)(=O)CC1=CC=CC=C1OC(=O)NC" ;
dbp:inchikey "InChIKey=IOPTXXRNXCPJGO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etofcbsfn" ;
skos:prefLabel "ethiofencarbsulfon"@nl .
csc:QZYNWJQFTJXIRN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12468 ;
dbo:casNumber "634-90-2" , "63697-21-2" ;
dbo:formula "C6H2Cl4" ;
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)5(9)2-3/h1-2H" ;
dbo:iupacName "1,2,3,5-Tetrachlorobenzene"@en ;
dbo:pubchem "12468"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QZYNWJQFTJXIRN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1235T4ClBen" ;
skos:prefLabel "1,2,3,5-tetrachloorbenzeen"@nl .
csc:ZAXXZBQODQDCOW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3033863 ;
dbo:casNumber "84540-57-8" ;
dbo:formula "C6H12O3" ;
dbo:inchi "InChI=1S/C6H12O3/c1-4-6(8-3)9-5(2)7/h6H,4H2,1-3H3" ;
dbo:iupacName "1-methoxypropyl acetate"@en ;
dbo:pubchem "3033863"^^xsd:int ;
dbo:smiles "CCC(OC)OC(=O)C" ;
dbp:inchikey "InChIKey=ZAXXZBQODQDCOW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1oxC3yactt" ;
skos:prefLabel "1-methoxypropylacetaat"@nl .
csc:NRNWARROUIEBPJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
dbo:casNumber "639-58-7" ;
dbo:formula "0" ;
dbo:inchi "InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;" ;
dbo:iupacName "chloro-tri(phenyl)stannane"@en ;
dbo:smiles "0" ;
dbp:inchikey "InChIKey=NRNWARROUIEBPJ-UHFFFAOYSA-N" ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "trifenyltinchloride"@nl .
csc:VGPIBGGRCVEHQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:91656 ;
dbo:casNumber "55179-31-2" ;
dbo:formula "C20H23N3O2" ;
dbo:inchi "InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3" ;
dbo:iupacName "3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol"@en ;
dbo:pubchem "91656"^^xsd:int ;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)C3=CC=CC=C3)O" ;
dbp:inchikey "InChIKey=VGPIBGGRCVEHQZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bittnl" ;
skos:prefLabel "bitertanol"@nl .
csc:AYAPZOUDXCDGIF-FRFVDRIFSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:64712 ;
dbo:casNumber "147-52-4" , "985-16-0" ;
dbo:formula "C21H21N2NaO5S" ;
dbo:inchi "InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1" ;
dbo:iupacName "sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate"@en ;
dbo:pubchem "64712"^^xsd:int ;
dbo:smiles "CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]" ;
dbp:inchikey "InChIKey=AYAPZOUDXCDGIF-FRFVDRIFSA-M" ;
skos:broader csc:CHEMONTID_0001189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "nafclne" ;
skos:prefLabel "nafcilline"@nl .
csc:WKDZZKIPDBZSRW-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16683944 ;
dbo:casNumber "3626-13-9" ;
dbo:formula "C8H8HgO2" ;
dbo:inchi "InChI=1S/C7H6O2.CH3.Hg/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);1H3;/q;;+1/p-1" ;
dbo:iupacName "benzoyloxy-methylmercury"@en ;
dbo:pubchem "16683944"^^xsd:int ;
dbo:smiles "C[Hg]OC(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=WKDZZKIPDBZSRW-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0002565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yHgbzat" ;
skos:prefLabel "methylkwikbenzoaat"@nl .
csc:XWPZUHJBOLQNMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:86210 ;
dbo:casNumber "125116-23-6" ;
dbo:formula "C17H22ClN3O" ;
dbo:inchi "InChI=1S/C17H22ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,11-12,14,22H,7-10H2,1-2H3" ;
dbo:iupacName "5-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en ;
dbo:pubchem "86210"^^xsd:int ;
dbo:smiles "CC1(CCC(C1(CN2C=NC=N2)O)CC3=CC=C(C=C3)Cl)C" ;
dbp:inchikey "InChIKey=XWPZUHJBOLQNMN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001565 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metcnzl" ;
skos:prefLabel "metconazool"@nl .
csc:WSABLXKFAPKFSO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21420 ;
dbo:casNumber "5336-24-3" ;
dbo:formula "C9H20N2O" ;
dbo:inchi "InChI=1S/C9H20N2O/c1-8(2,3)10-7(12)11-9(4,5)6/h1-6H3,(H2,10,11,12)" ;
dbo:iupacName "1,3-ditert-butylurea"@en ;
dbo:pubchem "21420"^^xsd:int ;
dbo:smiles "CC(C)(C)NC(=O)NC(C)(C)C" ;
dbp:inchikey "InChIKey=WSABLXKFAPKFSO-UHFFFAOYSA-N" ;
skos:altLabel "N,N'-bis(1,1-dimethylethyl)ureum"@nl ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb11DC1yC2y" ;
skos:prefLabel "n,n'-bis(1,1-dimethylethyl)ureum"@nl .
csc:PXSOHRWMIRDKMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6235 ;
dbo:casNumber "8059-32-3" , "68-76-8" ;
dbo:formula "C12H13N3O2" ;
dbo:inchi "InChI=1S/C12H13N3O2/c16-9-7-8(13-1-2-13)12(17)11(15-5-6-15)10(9)14-3-4-14/h7H,1-6H2" ;
dbo:iupacName "2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione"@en ;
dbo:pubchem "6235"^^xsd:int ;
dbo:smiles "C1CN1C2=CC(=O)C(=C(C2=O)N3CC3)N4CC4" ;
dbp:inchikey "InChIKey=PXSOHRWMIRDKMP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002494 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tazcn" ;
skos:prefLabel "triazichon"@nl .
csc:JBXZCPXEYAEMJS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23108 ;
dbo:casNumber "6627-34-5" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-2-6(10(11)12)4(8)1-5(3)9/h1-2H,9H2" ;
dbo:iupacName "2,5-Dichloro-4-nitroaniline"@en ;
dbo:pubchem "23108"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)N" ;
dbp:inchikey "InChIKey=JBXZCPXEYAEMJS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DCl4NO2An" ;
skos:prefLabel "2,5-dichloor-4-nitroaniline"@nl .
csc:UDMZPLROONOSEF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40475 ;
dbo:casNumber "52663-68-0" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-7(15)6(14)1-4(5)10-11(18)8(16)3-9(17)12(10)19/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "40475"^^xsd:int ;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=UDMZPLROONOSEF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB187" ;
skos:prefLabel "2,2',3,4',5,5',6-heptachloorbifenyl"@nl .
csc:WNTGYJSOUMFZEP-SSDOTTSWSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:185588 ;
dbo:casNumber "16484-77-8" ;
dbo:formula "C10H11ClO3" ;
dbo:inchi "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/t7-/m1/s1" ;
dbo:iupacName "(2R)-2-(4-chloro-2-methylphenoxy)propanoic acid"@en ;
dbo:pubchem "185588"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O" ;
dbp:inchikey "InChIKey=WNTGYJSOUMFZEP-SSDOTTSWSA-N" ;
skos:altLabel "mecoprop-p"@nl ;
skos:broader csc:CHEMONTID_0004676 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mecppP" ;
skos:prefLabel "mecoprop-P"@nl .
csc:FSPZPQQWDODWAU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:38439 ;
dbo:casNumber "40321-76-4" ;
dbo:formula "C12H3Cl5O2" ;
dbo:inchi "InChI=1S/C12H3Cl5O2/c13-4-1-7-8(2-5(4)14)19-12-9(18-7)3-6(15)10(16)11(12)17/h1-3H" ;
dbo:iupacName "1,2,3,7,8-pentachlorooxanthrene"@en ;
dbo:pubchem "38439"^^xsd:int ;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=FSPZPQQWDODWAU-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "1,2,3,7,8-pentachloordibenzodioxine"@nl , " 1,2,3,7,8-pentachloordibenzodioxine"@nl , "1,2,3,7,8-pentachloordibenzo-p-dioxine"@nl , "1,2,3,7,8-pentachloordibenzo-para-dioxine"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_40321-76-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD54" ;
skos:prefLabel "1,2,3,7,8-pentachloordibenzodioxine (pecdd)"@nl ;
vcs:vmmParameterId "1247"^^xsd:int .
csc:CBMXCNPQDUJNHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11328 ;
dbo:casNumber "575-43-9" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-6-7-12-10(2)4-3-5-11(12)8-9/h3-8H,1-2H3" ;
dbo:iupacName "1,6-Dimethylnaphthalene"@en ;
dbo:pubchem "11328"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC(=C2C=C1)C" ;
dbp:inchikey "InChIKey=CBMXCNPQDUJNHT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16DC1yNaf" ;
skos:prefLabel "1,6-dimethylnaftaleen"@nl .
csc:NHZLNPMOSADWGC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5338 ;
dbo:casNumber "8027-68-7" , "59-40-5" ;
dbo:formula "C14H12N4O2S" ;
dbo:inchi "InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)" ;
dbo:iupacName "4-amino-N-quinoxalin-2-ylbenzenesulfonamide"@en ;
dbo:pubchem "5338"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N" ;
dbp:inchikey "InChIKey=NHZLNPMOSADWGC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000486 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "sulfqoxlne" ;
skos:prefLabel "sulfaquinoxaline"@nl .
csc:QSNSCYSYFYORTR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7812 ;
dbo:casNumber "106-47-8" ;
dbo:formula "C6H6ClN" ;
dbo:inchi "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2" ;
dbo:iupacName "4-Chloroaniline"@en ;
dbo:pubchem "7812"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)Cl" ;
dbp:inchikey "InChIKey=QSNSCYSYFYORTR-UHFFFAOYSA-N" ;
skos:altLabel "4-chlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:exactMatch wise:CAS_106-47-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4ClAn" ;
skos:prefLabel "p-chlooraniline"@nl ;
vcs:vmmParameterId "51"^^xsd:int .
csc:TVFDJXOCXUVLDH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5354618 ;
dbo:casNumber "24347-12-4" , "7440-46-2" ;
dbo:formula "Cs" ;
dbo:inchi "InChI=1S/Cs" ;
dbo:iupacName "CESIUM"@en ;
dbo:pubchem "5354618"^^xsd:int ;
dbo:smiles "[Cs]" ;
dbp:inchikey "InChIKey=TVFDJXOCXUVLDH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000425 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Cs" ;
skos:prefLabel "cesium"@nl .
csc:RYLHNOVXKPXDIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91766 ;
dbo:casNumber "101463-69-8" ;
dbo:formula "C21H11ClF6N2O3" ;
dbo:inchi "InChI=1S/C21H11ClF6N2O3/c22-12-8-10(21(26,27)28)4-7-17(12)33-11-5-6-16(15(25)9-11)29-20(32)30-19(31)18-13(23)2-1-3-14(18)24/h1-9H,(H2,29,30,31,32)" ;
dbo:iupacName "N-[[4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-fluorophenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91766"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=C(C=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)F)F" ;
dbp:inchikey "InChIKey=RYLHNOVXKPXDIP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flufnxrn" ;
skos:prefLabel "flufenoxuron"@nl .
csc:BAJQRLZAPXASRD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7114 ;
dbo:casNumber "92-93-3" , "28984-85-2" ;
dbo:formula "C12H9NO2" ;
dbo:inchi "InChI=1S/C12H9NO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H" ;
dbo:iupacName "1-Nitro-4-phenylbenzene"@en ;
dbo:pubchem "7114"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=BAJQRLZAPXASRD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000041 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DFy" ;
skos:prefLabel "4-nitrodifenyl"@nl .
csc:XMWRWTSZNLOZFN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62329 ;
dbo:casNumber "81-15-2" ;
dbo:formula "C12H15N3O6" ;
dbo:inchi "InChI=1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3" ;
dbo:iupacName "1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene"@en ;
dbo:pubchem "62329"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XMWRWTSZNLOZFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "muskxln" ;
skos:prefLabel "musk-xyleen"@nl .
csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:38479 ;
dbo:casNumber "64667-17-0" , "39336-60-2" , "155421-40-2" , "64719-41-1" , "40487-42-1" ;
dbo:formula "C13H19N3O4" ;
dbo:inchi "InChI=1S/C13H19N3O4/c1-5-10(6-2)14-12-11(15(17)18)7-8(3)9(4)13(12)16(19)20/h7,10,14H,5-6H2,1-4H3" ;
dbo:iupacName "3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline"@en ;
dbo:pubchem "38479"^^xsd:int ;
dbo:smiles "CCC(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])C)C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=CHIFOSRWCNZCFN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:exactMatch wise:CAS_40487-42-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pendmtln" ;
skos:prefLabel "pendimethalin"@nl ;
vcs:vmmParameterId "1475"^^xsd:int .
csc:SLSSBKMDWYZIRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:108344 ;
dbo:casNumber "55525-54-7" ;
dbo:formula "C23H38N4O3" ;
dbo:inchi "InChI=1S/C23H38N4O3/c1-20(2)7-17(26-15-28)9-22(5,11-20)13-24-19(30)25-14-23(6)10-18(27-16-29)8-21(3,4)12-23/h17-18H,7-14H2,1-6H3,(H2,24,25,30)" ;
dbo:iupacName "1,3-bis[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]urea"@en ;
dbo:pubchem "108344"^^xsd:int ;
dbo:smiles "CC1(CC(CC(C1)(C)CNC(=O)NCC2(CC(CC(C2)(C)C)N=C=O)C)N=C=O)C" ;
dbp:inchikey "InChIKey=SLSSBKMDWYZIRQ-UHFFFAOYSA-N" ;
skos:altLabel "N,N'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum"@nl ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNb5iCN133TC" ;
skos:prefLabel "n,n'-bis((5isocyanaat-1,3,3-trimethylcyclohexyl)methyl)ureum"@nl .
csc:VHKXXVVRRDYCIK-CWCPJSEDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65452 ;
dbo:casNumber "55134-13-9" ;
dbo:formula "C43H72O11" ;
dbo:inchi "InChI=1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1" ;
dbo:iupacName "(2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid"@en ;
dbo:pubchem "65452"^^xsd:int ;
dbo:smiles "CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O" ;
dbp:inchikey "InChIKey=VHKXXVVRRDYCIK-CWCPJSEDSA-N" ;
skos:broader csc:CHEMONTID_0001755 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "narsne" ;
skos:prefLabel "narasine"@nl .
csc:RGCLLPNLLBQHPF-CMDGGOBGSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033834 ;
dbo:casNumber "13170-92-8" , "297-99-4" ;
dbo:formula "C10H19ClNO5P" ;
dbo:inchi "InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+" ;
dbo:iupacName "[(E)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate"@en ;
dbo:pubchem "3033834"^^xsd:int ;
dbo:smiles "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl" ;
dbp:inchikey "InChIKey=RGCLLPNLLBQHPF-CMDGGOBGSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tfosfmdn" ;
skos:prefLabel "trans-fosfamidon"@nl .
csc:GCKFUYQCUCGESZ-KIIRVTSASA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:40976 ;
dbo:casNumber "165050-21-5" , "54048-10-1" ;
dbo:formula "C22H28O2" ;
dbo:inchi "InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17?,18?,19?,20?,21?,22-/m0/s1" ;
dbo:iupacName "(17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "40976"^^xsd:int ;
dbo:smiles "CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34" ;
dbp:inchikey "InChIKey=GCKFUYQCUCGESZ-KIIRVTSASA-N" ;
skos:broader csc:CHEMONTID_0003570 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etngtl" ;
skos:prefLabel "etonogestrel"@nl .
csc:QYPPRTNMGCREIM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8948 ;
dbo:casNumber "124-58-3" , "35745-11-0" , "4950-59-8" ;
dbo:formula "CH5AsO3" ;
dbo:inchi "InChI=1S/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)" ;
dbo:iupacName "Methylarsonic acid"@en ;
dbo:pubchem "8948"^^xsd:int ;
dbo:smiles "C[As](=O)(O)O" ;
dbp:inchikey "InChIKey=QYPPRTNMGCREIM-UHFFFAOYSA-N" ;
skos:altLabel "monomethyl arseenzuur"@nl ;
skos:broader csc:CHEMONTID_0004239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MC1yAszr" ;
skos:prefLabel "monomethylarseenzuur"@nl .
csc:SNKLPZOJLXDZCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7379 ;
dbo:casNumber "98-27-1" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-8-7-9(11(2,3)4)5-6-10(8)12/h5-7,12H,1-4H3" ;
dbo:iupacName "4-tert-Butyl-2-methylphenol"@en ;
dbo:pubchem "7379"^^xsd:int ;
dbo:smiles "CC1=C(C=CC(=C1)C(C)(C)C)O" ;
dbp:inchikey "InChIKey=SNKLPZOJLXDZCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "411DC1yC2y2C" ;
skos:prefLabel "4-(1,1-dimethylethyl)-2-methyl-fenol"@nl .
csc:RYMZZMVNJRMUDD-HGQWONQESA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:54454 ;
dbo:casNumber "79902-63-9" ;
dbo:formula "C25H38O5" ;
dbo:inchi "InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1" ;
dbo:iupacName "[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate"@en ;
dbo:pubchem "54454"^^xsd:int ;
dbo:smiles "CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C" ;
dbp:inchikey "InChIKey=RYMZZMVNJRMUDD-HGQWONQESA-N" ;
skos:broader csc:CHEMONTID_0001244 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "simvstne" ;
skos:prefLabel "simvastatine"@nl .
csc:SGNBVLSWZMBQTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:312822 ;
dbo:casNumber "474-62-4" ;
dbo:formula "C28H48O" ;
dbo:inchi "InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3" ;
dbo:iupacName "17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en ;
dbo:pubchem "312822"^^xsd:int ;
dbo:smiles "CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C" ;
dbp:inchikey "InChIKey=SGNBVLSWZMBQTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001403 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campEsrol" ;
skos:prefLabel "campesterol"@nl .
csc:ABOOPXYCKNFDNJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:178795 ;
dbo:casNumber "76578-12-6" , "95977-28-9" ;
dbo:formula "C17H13ClN2O4" ;
dbo:inchi "InChI=1S/C17H13ClN2O4/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-15-8-11(18)2-7-14(15)20-16/h2-10H,1H3,(H,21,22)" ;
dbo:iupacName "2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid"@en ;
dbo:pubchem "178795"^^xsd:int ;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl" ;
dbp:inchikey "InChIKey=ABOOPXYCKNFDNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004674 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "quizlfp" ;
skos:prefLabel "quizalofop"@nl .
csc:ZESRJSPZRDMNHY-YFWFAHHUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6166 ;
dbo:casNumber "64-85-7" ;
dbo:formula "C21H30O3" ;
dbo:inchi "InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "6166"^^xsd:int ;
dbo:smiles "CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C" ;
dbp:inchikey "InChIKey=ZESRJSPZRDMNHY-YFWFAHHUSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "dOxctctrn" ;
skos:prefLabel "deoxycorticosteron"@nl .
csc:CUBICSJJYOPOIA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:29995 ;
dbo:casNumber "20189-42-8" ;
dbo:formula "C7H9NO2" ;
dbo:inchi "InChI=1S/C7H9NO2/c1-3-5-4(2)6(9)8-7(5)10/h3H2,1-2H3,(H,8,9,10)" ;
dbo:iupacName "3-ethyl-4-methylpyrrole-2,5-dione"@en ;
dbo:pubchem "29995"^^xsd:int ;
dbo:smiles "CCC1=C(C(=O)NC1=O)C" ;
dbp:inchikey "InChIKey=CUBICSJJYOPOIA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003203 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C2y4C1yprl2" ;
skos:prefLabel "3-ethyl-4-methylpyrrol-2,5-dion"@nl .
csc:MIOPJNTWMNEORI-XVKPBYJWSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6992131 ;
dbo:casNumber "3144-16-9" ;
dbo:formula "C10H15O4S-" ;
dbo:inchi "InChI=1S/C10H16O4S/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h7H,3-6H2,1-2H3,(H,12,13,14)/p-1/t7-,10-/m0/s1" ;
dbo:iupacName "[(1R,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate"@en ;
dbo:pubchem "6992131"^^xsd:int ;
dbo:smiles "CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C" ;
dbp:inchikey "InChIKey=MIOPJNTWMNEORI-XVKPBYJWSA-M" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "campsfzr" ;
skos:prefLabel "camphorsulfonzuur"@nl .
csc:WXCMHFPAUCOJIG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6669 ;
dbo:casNumber "81-14-1" ;
dbo:formula "C14H18N2O5" ;
dbo:inchi "InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3" ;
dbo:iupacName "1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)ethanone"@en ;
dbo:pubchem "6669"^^xsd:int ;
dbo:smiles "CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C(=O)C" ;
dbp:inchikey "InChIKey=WXCMHFPAUCOJIG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "muskketn" ;
skos:prefLabel "musk keton"@nl .
csc:PCHJSUWPFVWCPO-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:66274 ;
dbo:casNumber "10043-49-9" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au/i1+1" ;
dbo:iupacName "gold-198"@en ;
dbo:pubchem "66274"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "InChIKey=PCHJSUWPFVWCPO-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au198" ;
skos:prefLabel "goud 198"@nl .
vlcs:chemische_stof rdf:type skos:ConceptScheme ;
xkos:belongsTo omg_dataset:codelijst-chemische_stof ;
skos:definition "Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt."@nl ;
skos:prefLabel "Conceptschema Chemische Stoffen"@nl .
csc:XITQUSLLOSKDTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15787 ;
dbo:casNumber "51274-07-8" , "1836-75-5" ;
dbo:formula "C12H7Cl2NO3" ;
dbo:inchi "InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H" ;
dbo:iupacName "2,4-Dichloro-1-(4-nitrophenoxy)benzene"@en ;
dbo:pubchem "15787"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=XITQUSLLOSKDTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004155 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2fn" ;
skos:prefLabel "nitrofen"@nl .
csc:IJGRMHOSHXDMSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:947 ;
dbo:casNumber "7727-37-9" , "161728-27-4" , "93037-13-9" , "156457-45-3" ;
dbo:formula "N2" ;
dbo:inchi "InChI=1S/N2/c1-2" ;
dbo:iupacName "molecular nitrogen"@en ;
dbo:pubchem "947"^^xsd:int ;
dbo:smiles "N#N" ;
dbp:inchikey "InChIKey=IJGRMHOSHXDMSA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000553 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2" ;
skos:prefLabel "distikstof"@nl .
csc:WUYJXWRFOUCHEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:22796 ;
dbo:casNumber "88-05-1" , "6334-11-8" ;
dbo:formula "C9H14ClN" ;
dbo:inchi "InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H" ;
dbo:iupacName "(2,4,6-trimethylphenyl)azanium chloride"@en ;
dbo:pubchem "22796"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C(=C1)C)[NH3+])C.[Cl-]" ;
dbp:inchikey "InChIKey=WUYJXWRFOUCHEB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yAn" ;
skos:prefLabel "2,4,6-trimethylaniline"@nl .
csc:RNABGKOKSBUFHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12064 ;
dbo:casNumber "618-62-2" , "33150-95-7" ;
dbo:formula "C6H3Cl2NO2" ;
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-1-5(8)3-6(2-4)9(10)11/h1-3H" ;
dbo:iupacName "1,3-Dichloro-5-nitrobenzene"@en ;
dbo:pubchem "12064"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=RNABGKOKSBUFHW-UHFFFAOYSA-N" ;
skos:altLabel "1,3-dichloor-5-nitrobenzeen"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DCl5NO2Ben" ;
skos:prefLabel "3,5-dichloornitrobenzeen"@nl .
csc:UGCSPKPEHQEOSR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6427 ;
dbo:casNumber "76-12-0" ;
dbo:formula "C2Cl4F2" ;
dbo:inchi "InChI=1S/C2Cl4F2/c3-1(4,7)2(5,6)8" ;
dbo:iupacName "1,1,2,2-Tetrachloro-1,2-difluoroethane"@en ;
dbo:pubchem "6427"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(F)(Cl)Cl" ;
dbp:inchikey "InChIKey=UGCSPKPEHQEOSR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CFK112" ;
skos:prefLabel "1,1,2,2-tetrachloor-1,2-difluorethaan"@nl .
csc:MRMOZBOQVYRSEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6511 ;
dbo:casNumber "78-00-2" ;
dbo:formula "C8H20Pb" ;
dbo:inchi "InChI=1S/4C2H5.Pb/c4*1-2;/h4*1H2,2H3;" ;
dbo:iupacName "Tetraethylplumbane"@en ;
dbo:pubchem "6511"^^xsd:int ;
dbo:smiles "CC[Pb](CC)(CC)CC" ;
dbp:inchikey "InChIKey=MRMOZBOQVYRSEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004289 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4C2yPb" ;
skos:prefLabel "tetraethyllood"@nl .
csc:VSZGPKBBMSAYNT-RRFJBIMHSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:65028 ;
dbo:casNumber "196618-13-0" ;
dbo:formula "C16H28N2O4" ;
dbo:inchi "InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1" ;
dbo:iupacName "ethyl (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylate"@en ;
dbo:pubchem "65028"^^xsd:int ;
dbo:smiles "CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC" ;
dbp:inchikey "InChIKey=VSZGPKBBMSAYNT-RRFJBIMHSA-N" ;
skos:broader csc:CHEMONTID_0001880 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ostmvr" ;
skos:prefLabel "oseltamivir"@nl .
csc:KOMNUTZXSVSERR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13931 ;
dbo:casNumber "109521-50-8" , "196519-94-5" , "123339-46-8" , "1025-15-6" ;
dbo:formula "C12H15N3O3" ;
dbo:inchi "InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2" ;
dbo:iupacName "1,3,5-tri(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione"@en ;
dbo:pubchem "13931"^^xsd:int ;
dbo:smiles "C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C" ;
dbp:inchikey "InChIKey=KOMNUTZXSVSERR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001920 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "135Talicaurt" ;
skos:prefLabel "1,3,5-triallylisocyanuraat"@nl .
csc:BRWIZMBXBAOCCF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6583 ;
dbo:casNumber "79-19-6" ;
dbo:formula "CH5N3S" ;
dbo:inchi "InChI=1S/CH5N3S/c2-1(5)4-3/h3H2,(H3,2,4,5)" ;
dbo:iupacName "aminothiourea"@en ;
dbo:pubchem "6583"^^xsd:int ;
dbo:smiles "C(=NN)(N)S" ;
dbp:inchikey "InChIKey=BRWIZMBXBAOCCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001207 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tosmcbzde" ;
skos:prefLabel "thiosemicarbazide"@nl .
csc:QZYHIOPPLUPUJF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7422 ;
dbo:casNumber "99-08-1" ;
dbo:formula "C7H7NO2" ;
dbo:inchi "InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3" ;
dbo:iupacName "1-Methyl-3-nitrobenzene"@en ;
dbo:pubchem "7422"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=QZYHIOPPLUPUJF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3NO2Tol" ;
skos:prefLabel "3-nitrotolueen"@nl .
csc:HEWDOWUUTBCVJP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10676 ;
dbo:casNumber "525-37-1" ;
dbo:formula "C10H8O6S2" ;
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)8-4-5-9-7(6-8)2-1-3-10(9)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)" ;
dbo:iupacName "NAPHTHALENE-1,6-DISULFONIC ACID"@en ;
dbo:pubchem "10676"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=HEWDOWUUTBCVJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "16NafDsfzr" ;
skos:prefLabel "1,6-naftaleendisulfonzuur"@nl .
csc:ZNSMNVMLTJELDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8115 ;
dbo:casNumber "92091-28-6" , "111-44-4" ;
dbo:formula "C4H8Cl2O" ;
dbo:inchi "InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2" ;
dbo:iupacName "1-chloro-2-(2-chloroethoxy)ethane"@en ;
dbo:pubchem "8115"^^xsd:int ;
dbo:smiles "C(CCl)OCCCl" ;
dbp:inchikey "InChIKey=ZNSMNVMLTJELDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22DClDC2yEtr" ;
skos:prefLabel "2,2-dichloordiethylether"@nl .
csc:GAFWRUXZGSUTHS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25741 ;
dbo:casNumber "13142-64-8" ;
dbo:formula "C8H9ClN2O" ;
dbo:inchi "InChI=1S/C8H9ClN2O/c1-5-2-3-6(4-7(5)9)11-8(10)12/h2-4H,1H3,(H3,10,11,12)" ;
dbo:iupacName "(3-CHLORO-4-METHYLPHENYL)UREA"@en ;
dbo:pubchem "25741"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)NC(=O)N)Cl" ;
dbp:inchikey "InChIKey=GAFWRUXZGSUTHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3Cl4C1yFyura" ;
skos:prefLabel "(3-chloor-4-methylfenyl)urea"@nl .
csc:UGPWRRVOLLMHSC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:74816 ;
dbo:casNumber "1999-85-5" ;
dbo:formula "C12H18O2" ;
dbo:inchi "InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3" ;
dbo:iupacName "2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol"@en ;
dbo:pubchem "74816"^^xsd:int ;
dbo:smiles "CC(C)(C1=CC(=CC=C1)C(C)(C)O)O" ;
dbp:inchikey "InChIKey=UGPWRRVOLLMHSC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aaDHOxDiC3yB" ;
skos:prefLabel "alfa,alfa'-dihydroxy-1,3-diisopropylbenzeen"@nl .
csc:SGVYKUFIHHTIFL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13379 ;
dbo:casNumber "34464-38-5" , "68551-17-7" , "63335-88-6" , "68551-16-6" , "871-83-0" ;
dbo:formula "C10H22" ;
dbo:inchi "InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3" ;
dbo:iupacName "2-Methylnonane"@en ;
dbo:pubchem "13379"^^xsd:int ;
dbo:smiles "CCCCCCCC(C)C" ;
dbp:inchikey "InChIKey=SGVYKUFIHHTIFL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C1yC9a" ;
skos:prefLabel "2-methylnonaan"@nl .
csc:ZOKXTWBITQBERF-AKLPVKDBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104976 ;
dbo:casNumber "14119-15-4" ;
dbo:formula "Mo" ;
dbo:inchi "InChI=1S/Mo/i1+3" ;
dbo:iupacName "molybdenum-99"@en ;
dbo:pubchem "104976"^^xsd:int ;
dbo:smiles "[Mo]" ;
dbp:inchikey "InChIKey=ZOKXTWBITQBERF-AKLPVKDBSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Mo99" ;
skos:prefLabel "molybdeen 99"@nl .
csc:RUVINXPYWBROJD-ONEGZZNKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637563 ;
dbo:casNumber "57131-42-7" , "109957-71-3" , "4180-23-8" , "8022-08-0" , "50770-19-9" , "104-46-1" , "12002-40-3" ;
dbo:formula "C10H12O" ;
dbo:inchi "InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+" ;
dbo:iupacName "['1-methoxy-4-[(E)-prop-1-enyl]benzene', '1-methoxy-4-prop-1-enylbenzene']"@en ;
dbo:pubchem "637563"^^xsd:int ;
dbo:smiles "CC=CC1=CC=C(C=C1)OC" ;
dbp:inchikey "InChIKey=RUVINXPYWBROJD-ONEGZZNKSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1ox41C3yeb" ;
skos:prefLabel "1-methoxy-4-(1-propenyl)benzeen"@nl .
csc:NNJVILVZKWQKPM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:3676 ;
dbo:casNumber "8059-42-5" , "91484-71-8" , "137-58-6" , "8059-66-3" ;
dbo:formula "C14H22N2O" ;
dbo:inchi "InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)" ;
dbo:iupacName "2-diethylamino-N-(2,6-dimethylphenyl)acetamide"@en ;
dbo:pubchem "3676"^^xsd:int ;
dbo:smiles "CCN(CC)CC(=O)NC1=C(C=CC=C1C)C" ;
dbp:inchikey "InChIKey=NNJVILVZKWQKPM-UHFFFAOYSA-N" ;
skos:altLabel "lidocaine"@nl ;
skos:broader csc:CHEMONTID_0004209 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lidcine" ;
skos:prefLabel "lidocaïne"@nl .
csc:HSZLKTCKAYXVBX-DCAGQSADSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6440708 ;
dbo:casNumber "1405-27-2" , "24916-52-7" , "33299-71-7" , "11001-07-3" , "13429-99-7" , "13441-33-3" , "1403-59-4" , "13445-44-8" , "23410-82-4" , "203005-19-0" ;
dbo:formula "C46H78N2O15" ;
dbo:inchi "InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28+,29-,30+,31+,32+,33+,34-,37+,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1" ;
dbo:iupacName "[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] propanoate"@en ;
dbo:pubchem "6440708"^^xsd:int ;
dbo:smiles "CCC(=O)OC1CC(=O)OC(CC=CC=CC(C(CC(C(C1OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C)C" ;
dbp:inchikey "InChIKey=HSZLKTCKAYXVBX-DCAGQSADSA-N" ;
skos:altLabel "spiramycine iii"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcIII" ;
skos:prefLabel "spiramycine III"@nl .
csc:OEBRKCOSUFCWJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3039 ;
dbo:casNumber "55819-32-4" , "116788-91-1" , "62139-95-1" , "8076-16-2" , "62655-59-8" , "12772-40-6" , "95828-55-0" , "11095-17-3" , "11126-72-0" , "8072-21-7" , "8023-22-1" , "62-73-7" , "11096-21-2" , "11111-31-2" , "8072-39-7" ;
dbo:formula "C4H7Cl2O4P" ;
dbo:inchi "InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3" ;
dbo:iupacName "['2,2-Dichloroethenyl dimethyl phosphate', '2,2-dichloroethenoxy-hydroxy-dimethoxyphosphanium']"@en ;
dbo:pubchem "3039"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC=C(Cl)Cl" ;
dbp:inchikey "InChIKey=OEBRKCOSUFCWJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:exactMatch wise:CAS_62-73-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClvs" ;
skos:prefLabel "dichloorvos"@nl ;
vcs:vmmParameterId "391"^^xsd:int .
csc:DSAJWYNOEDNPEQ-AHCXROLUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5491664 ;
dbo:casNumber "13981-41-4" ;
dbo:formula "Ba" ;
dbo:inchi "InChI=1S/Ba/i1-4" ;
dbo:iupacName "barium-133"@en ;
dbo:pubchem "5491664"^^xsd:int ;
dbo:smiles "[Ba]" ;
dbp:inchikey "InChIKey=DSAJWYNOEDNPEQ-AHCXROLUSA-N" ;
skos:broader csc:CHEMONTID_0000428 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ba133" ;
skos:prefLabel "barium 133"@nl .
csc:SIKJAQJRHWYJAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:798 ;
dbo:casNumber "120-72-9" ;
dbo:formula "C8H7N" ;
dbo:inchi "InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H" ;
dbo:iupacName "1H-Indole"@en ;
dbo:pubchem "798"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CN2" ;
dbp:inchikey "InChIKey=SIKJAQJRHWYJAI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002497 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "indl" ;
skos:prefLabel "indol"@nl .
csc:VYKLRWGPNUVKNC-AATRIKPKSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5371267 ;
dbo:casNumber "38274-01-0" ;
dbo:formula "C13H20O3" ;
dbo:inchi "InChI=1S/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3/b6-5+" ;
dbo:iupacName "(E)-4-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl)but-3-en-2-one"@en ;
dbo:pubchem "5371267"^^xsd:int ;
dbo:smiles "CC(=O)C=CC12C(CC(CC1(O2)C)O)(C)C" ;
dbp:inchikey "InChIKey=VYKLRWGPNUVKNC-AATRIKPKSA-N" ;
skos:broader csc:CHEMONTID_0001729 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4HOx12DHbjnn" ;
skos:prefLabel "4-hydroxy-1,2-dihydro-beta-jonone-1,2-epoxide"@nl .
csc:WSORODGWGUUOBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15415 ;
dbo:casNumber "1634-78-2" ;
dbo:formula "C10H19O7PS" ;
dbo:inchi "InChI=1S/C10H19O7PS/c1-5-16-9(11)7-8(10(12)17-6-2)19-18(13,14-3)15-4/h8H,5-7H2,1-4H3" ;
dbo:iupacName "['(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxy-dimethoxyphosphanium', 'diethyl 2-dimethoxyphosphorylsulfanylbutanedioate']"@en ;
dbo:pubchem "15415"^^xsd:int ;
dbo:smiles "CCOC(=O)CC(C(=O)OCC)SP(=O)(OC)OC" ;
dbp:inchikey "InChIKey=WSORODGWGUUOBO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000324 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "malOon" ;
skos:prefLabel "malaoxon"@nl .
csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16422 ;
dbo:casNumber "2104-96-3" , "12778-42-6" , "12778-41-5" ;
dbo:formula "C8H8BrCl2O3PS" ;
dbo:inchi "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3" ;
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "16422"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl" ;
dbp:inchikey "InChIKey=NYQDCVLCJXRDSK-UHFFFAOYSA-N" ;
skos:altLabel "bromofos-methyl"@nl , "methylbromofos"@nl ;
skos:broader csc:CHEMONTID_0004748 ;
skos:exactMatch wise:CAS_2104-96-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yBrfs" ;
skos:prefLabel "bromophos"@nl ;
vcs:vmmParameterId "685"^^xsd:int .
csc:LFHISGNCFUNFFM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6423 ;
dbo:casNumber "76-06-2" ;
dbo:formula "CCl3NO2" ;
dbo:inchi "InChI=1S/CCl3NO2/c2-1(3,4)5(6)7" ;
dbo:iupacName "trichloro-nitromethane"@en ;
dbo:pubchem "6423"^^xsd:int ;
dbo:smiles "C([N+](=O)[O-])(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=LFHISGNCFUNFFM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004160 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clpcne" ;
skos:prefLabel "chloorpicrine"@nl .
csc:ACTRVOBWPAIOHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9354 ;
dbo:casNumber "304-55-2" , "2418-14-6" ;
dbo:formula "C4H6O4S2" ;
dbo:inchi "InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)" ;
dbo:iupacName "2,3-bis-sulfanylbutanedioic acid"@en ;
dbo:pubchem "9354"^^xsd:int ;
dbo:smiles "C(C(C(=O)O)S)(C(=O)O)S" ;
dbp:inchikey "InChIKey=ACTRVOBWPAIOHC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001423 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "succmr" ;
skos:prefLabel "succimer"@nl .
csc:OIPMQULDKWSNGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6328269 ;
dbo:casNumber "39148-24-8" ;
dbo:formula "C6H15AlO9P3+3" ;
dbo:inchi "InChI=1S/3C2H5O3P.Al/c3*1-2-5-6(3)4;/h3*2H2,1H3;/q;;;+3" ;
dbo:iupacName "aluminum ethoxy-oxido-oxophosphanium"@en ;
dbo:pubchem "6328269"^^xsd:int ;
dbo:smiles "CCOP(=O)=O.CCOP(=O)=O.CCOP(=O)=O.[Al+3]" ;
dbp:inchikey "InChIKey=OIPMQULDKWSNGX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000323 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fosC2yAl" ;
skos:prefLabel "fosetyl-aluminium"@nl .
csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:9117 ;
dbo:casNumber "191-24-2" ;
dbo:formula "C22H12" ;
dbo:inchi "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H" ;
dbo:iupacName "hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene"@en ;
dbo:pubchem "9117"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2" ;
dbp:inchikey "InChIKey=GYFAGKUZYNFMBN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "benzo(g,h,i)peryleen (b)"@nl , "benzo(ghi)peryleen"@nl , "benzo(g,h,i)peryleen"@nl ;
skos:broader csc:CHEMONTID_0000316 ;
skos:exactMatch wise:CAS_191-24-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "BghiPe" ;
skos:prefLabel "benzo(g,h,i)pery-leen"@nl ;
vcs:vmmParameterId "1425"^^xsd:int , "423"^^xsd:int .
csc:BSWWXRFVMJHFBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1483 ;
dbo:casNumber "118-79-6" ;
dbo:formula "C6H3Br3O" ;
dbo:inchi "InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" ;
dbo:iupacName "2,4,6-Tribromophenol"@en ;
dbo:pubchem "1483"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Br)O)Br)Br" ;
dbp:inchikey "InChIKey=BSWWXRFVMJHFBN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002769 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TBrFol" ;
skos:prefLabel "2,4,6-tribroomfenol"@nl .
csc:OKIBNKKYNPBDRS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40896 ;
dbo:casNumber "53780-34-0" , "55584-91-3" , "55599-99-0" ;
dbo:formula "C11H13F3N2O3S" ;
dbo:inchi "InChI=1S/C11H13F3N2O3S/c1-6-4-7(2)10(5-9(6)15-8(3)17)16-20(18,19)11(12,13)14/h4-5,16H,1-3H3,(H,15,17)" ;
dbo:iupacName "N-[2,4-dimethyl-5-(trifluoromethylsulfonylamino)phenyl]acetamide"@en ;
dbo:pubchem "40896"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1NC(=O)C)NS(=O)(=O)C(F)(F)F)C" ;
dbp:inchikey "InChIKey=OKIBNKKYNPBDRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000038 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mefidde" ;
skos:prefLabel "mefluidide"@nl .
csc:ZPCCSZFPOXBNDL-RSMXASMKSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5282173 ;
dbo:casNumber "23684-35-7" , "1405-26-1" , "23684-34-6" , "18810-02-1" , "1403-58-3" , "24916-51-6" ;
dbo:formula "C45H76N2O15" ;
dbo:inchi "InChI=1S/C45H76N2O15/c1-25-22-31(20-21-48)41(62-44-39(51)38(47(10)11)40(28(4)58-44)61-37-24-45(7,53)43(52)29(5)57-37)42(54-12)34(59-30(6)49)23-35(50)55-26(2)16-14-13-15-17-33(25)60-36-19-18-32(46(8)9)27(3)56-36/h13-15,17,21,25-29,31-34,36-44,51-53H,16,18-20,22-24H2,1-12H3/b14-13+,17-15+/t25-,26-,27+,28-,29+,31+,32+,33+,34-,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-/m1/s1" ;
dbo:iupacName "[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[(2S,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-[(2R,5S,6S)-5-dimethylamino-6-methyloxan-2-yl]oxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl] acetate"@en ;
dbo:pubchem "5282173"^^xsd:int ;
dbo:smiles "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C" ;
dbp:inchikey "InChIKey=ZPCCSZFPOXBNDL-RSMXASMKSA-N" ;
skos:altLabel "spiramycine II"@nl ;
skos:broader csc:CHEMONTID_0000282 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "spirmcII" ;
skos:prefLabel "spiramycine ii"@nl .
csc:DSKJPMWIHSOYEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:38884 ;
dbo:casNumber "58694-46-5" , "41483-43-6" ;
dbo:formula "C13H24N4O3S" ;
dbo:inchi "InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)" ;
dbo:iupacName "(5-butyl-2-ethylamino-6-methylpyrimidin-4-yl) N,N-dimethylsulfamate"@en ;
dbo:pubchem "38884"^^xsd:int ;
dbo:smiles "CCCCC1=C(N=C(N=C1OS(=O)(=O)N(C)C)NCC)C" ;
dbp:inchikey "InChIKey=DSKJPMWIHSOYEA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001262 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "buprmt" ;
skos:prefLabel "bupirimaat"@nl .
csc:IDSKMUOSMAUASS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33241 ;
dbo:casNumber "431-06-1" ;
dbo:formula "C2H2Cl2F2" ;
dbo:inchi "InChI=1S/C2H2Cl2F2/c3-1(5)2(4)6/h1-2H" ;
dbo:iupacName "1,2-Dichloro-1,2-difluoroethane"@en ;
dbo:pubchem "33241"^^xsd:int ;
dbo:smiles "C(C(F)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=IDSKMUOSMAUASS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK132" ;
skos:prefLabel "1,2-dichloor-1,2-difluorethaan"@nl .
csc:CJAOGUFAAWZWNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7490 ;
dbo:casNumber "27215-51-6" , "100-22-1" ;
dbo:formula "C10H16N2" ;
dbo:inchi "InChI=1S/C10H16N2/c1-11(2)9-5-7-10(8-6-9)12(3)4/h5-8H,1-4H3" ;
dbo:iupacName "N,N,N',N'-tetramethylbenzene-1,4-diamine"@en ;
dbo:pubchem "7490"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N(C)C" ;
dbp:inchikey "InChIKey=CJAOGUFAAWZWNI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TMPD" ;
skos:prefLabel "tetramethyl-1,4-benzeendiamine"@nl .
csc:UKHVLWKBNNSRRR-TYYBGVCCSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6433396 ;
dbo:casNumber "60789-82-4" , "4080-31-3" , "103638-29-5" ;
dbo:formula "C9H16Cl2N4" ;
dbo:inchi "InChI=1S/C9H16ClN4.ClH/c10-2-1-3-14-7-11-4-12(8-14)6-13(5-11)9-14;/h1-2H,3-9H2;1H/q+1;/p-1/b2-1+;" ;
dbo:iupacName "1-[(E)-3-chloroprop-2-enyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;chloride"@en ;
dbo:pubchem "6433396"^^xsd:int ;
dbo:smiles "C1N2CN3CN1C[N+](C2)(C3)CC=CCl.[Cl-]" ;
dbp:inchikey "InChIKey=UKHVLWKBNNSRRR-TYYBGVCCSA-M" ;
skos:broader csc:CHEMONTID_0002798 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13Clal357Taz" ;
skos:prefLabel "1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride"@nl .
csc:ZMZDMBWJUHKJPS-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9322 ;
dbo:casNumber "37223-05-5" , "60168-45-8" , "1111-68-8" , "60773-55-9" , "71048-69-6" , "302-04-5" , "70874-95-2" , "81210-01-7" , "62476-95-3" , "69924-38-5" ;
dbo:formula "CNS-" ;
dbo:inchi "InChI=1S/CHNS/c2-1-3/h3H/p-1" ;
dbo:iupacName "thiocyanate"@en ;
dbo:pubchem "9322"^^xsd:int ;
dbo:smiles "C(#N)[S-]" ;
dbp:inchikey "InChIKey=ZMZDMBWJUHKJPS-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001201 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "thiocyanaten"@nl .
csc:BVUXDWXKPROUDO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:20087 ;
dbo:casNumber "4130-92-1" , "4130-42-1" ;
dbo:formula "C16H26O" ;
dbo:inchi "InChI=1S/C16H26O/c1-8-11-9-12(15(2,3)4)14(17)13(10-11)16(5,6)7/h9-10,17H,8H2,1-7H3" ;
dbo:iupacName "2,6-ditert-butyl-4-ethylphenol"@en ;
dbo:pubchem "20087"^^xsd:int ;
dbo:smiles "CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C" ;
dbp:inchikey "InChIKey=BVUXDWXKPROUDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DttC4y4C2y" ;
skos:prefLabel "2,6-di-tert-butyl-4-ethylfenol"@nl .
csc:BNCADMBVWNPPIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:62479 ;
dbo:casNumber "11098-24-1" , "66565-50-2" , "174805-33-5" , "3089-11-0" , "37331-82-1" ;
dbo:formula "C15H30N6O6" ;
dbo:inchi "InChI=1S/C15H30N6O6/c1-22-7-19(8-23-2)13-16-14(20(9-24-3)10-25-4)18-15(17-13)21(11-26-5)12-27-6/h7-12H2,1-6H3" ;
dbo:iupacName "N2,N2,N4,N4,N6,N6-hexakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "62479"^^xsd:int ;
dbo:smiles "COCN(COC)C1=NC(=NC(=N1)N(COC)COC)N(COC)COC" ;
dbp:inchikey "InChIKey=BNCADMBVWNPPIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HxkC1oxC1yml" ;
skos:prefLabel "hexakis(methoxymethyl)melamine"@nl .
csc:GWESVXSMPKAFAS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12763 ;
dbo:casNumber "696-29-7" ;
dbo:formula "C9H18" ;
dbo:inchi "InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3" ;
dbo:iupacName "propan-2-ylcyclohexane"@en ;
dbo:pubchem "12763"^^xsd:int ;
dbo:smiles "CC(C)C1CCCCC1" ;
dbp:inchikey "InChIKey=GWESVXSMPKAFAS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001016 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iC3yccC6a" ;
skos:prefLabel "isopropylcyclohexaan"@nl .
csc:UFWIBTONFRDIAS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:931 ;
dbo:casNumber "72931-45-4" , "68412-25-9" , "91-20-3" ;
dbo:formula "C10H8" ;
dbo:inchi "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H" ;
dbo:iupacName "NAPHTHALENE"@en ;
dbo:pubchem "931"^^xsd:int ;
dbo:smiles "C1=CC=C2C=CC=CC2=C1" ;
dbp:inchikey "InChIKey=UFWIBTONFRDIAS-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:altLabel "naftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:exactMatch wise:CAS_91-20-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf" ;
skos:prefLabel "naftaleen "@nl ;
vcs:vmmParameterId "432"^^xsd:int , "1433"^^xsd:int .
csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl ;
rdfs:seeAlso compound:8900 ;
dbo:casNumber "8031-33-2" , "142-82-5" , "44607-13-8" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3" ;
dbo:iupacName "HEPTANE"@en ;
dbo:pubchem "8900"^^xsd:int ;
dbo:smiles "CCCCCCC" ;
dbp:inchikey "InChIKey=IMNFDUFMRHMDMM-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_006 , co:WAC_IV_A_016 ;
skos:altLabel "n-heptaan"@nl ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C7a" ;
skos:prefLabel "heptaan"@nl .
csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6853 ;
dbo:casNumber "86-73-7" , "84987-80-4" , "2299-68-5" ;
dbo:formula "C13H10" ;
dbo:inchi "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2" ;
dbo:iupacName "9H-Fluorene"@en ;
dbo:pubchem "6853"^^xsd:int ;
dbo:smiles "C1C2=CC=CC=C2C3=CC=CC=C31" ;
dbp:inchikey "InChIKey=NIHNNTQXNPWCJQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0000020 ;
skos:exactMatch wise:CAS_86-73-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fle" ;
skos:prefLabel "fluoreen"@nl ;
vcs:vmmParameterId "430"^^xsd:int , "1431"^^xsd:int .
csc:FVFVNNKYKYZTJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:18831 ;
dbo:casNumber "3397-62-4" ;
dbo:formula "C3H4ClN5" ;
dbo:inchi "InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9)" ;
dbo:iupacName "6-Chloro-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "18831"^^xsd:int ;
dbo:smiles "C1(=NC(=NC(=N1)Cl)N)N" ;
dbp:inchikey "InChIKey=FVFVNNKYKYZTJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004721 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cl46Daotazn" ;
skos:prefLabel "2-chloor-4,6-diamino-1,3,5-triazine"@nl .
csc:FYZBOYWSHKHDMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:54886 ;
dbo:casNumber "88650-68-4" , "82560-54-1" ;
dbo:formula "C20H30N2O5S" ;
dbo:inchi "InChI=1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3" ;
dbo:iupacName "ethyl 3-[[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-propan-2-ylamino]propanoate"@en ;
dbo:pubchem "54886"^^xsd:int ;
dbo:smiles "CCOC(=O)CCN(C(C)C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C" ;
dbp:inchikey "InChIKey=FYZBOYWSHKHDMT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004189 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benfrcb" ;
skos:prefLabel "benfuracarb"@nl .
csc:HJIUPFPIEBPYIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10813 ;
dbo:casNumber "535-89-7" ;
dbo:formula "C7H10ClN3" ;
dbo:inchi "InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3" ;
dbo:iupacName "2-chloro-N,N,6-trimethylpyrimidin-4-amine"@en ;
dbo:pubchem "10813"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=N1)Cl)N(C)C" ;
dbp:inchikey "InChIKey=HJIUPFPIEBPYIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003901 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "crimdne" ;
skos:prefLabel "crimidine"@nl .
csc:VILCJCGEZXAXTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5565 ;
dbo:casNumber "110670-33-2" , "71124-11-3" , "14175-14-5" , "112-24-3" , "105093-20-7" , "39421-77-7" ;
dbo:formula "C6H18N4" ;
dbo:inchi "InChI=1S/C6H18N4/c7-1-3-9-5-6-10-4-2-8/h9-10H,1-8H2" ;
dbo:iupacName "N,N'-bis(2-aminoethyl)ethane-1,2-diamine"@en ;
dbo:pubchem "5565"^^xsd:int ;
dbo:smiles "C(CNCCNCCN)N" ;
dbp:inchikey "InChIKey=VILCJCGEZXAXTO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2yeT4Ae" ;
skos:prefLabel "triethyleentetramine"@nl .
csc:FLKPEMZONWLCSK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6781 ;
dbo:casNumber "84-66-2" , "68988-18-1" ;
dbo:formula "C12H14O4" ;
dbo:inchi "InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3" ;
dbo:iupacName "diethyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "6781"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=CC=CC=C1C(=O)OCC" ;
dbp:inchikey "InChIKey=FLKPEMZONWLCSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:exactMatch wise:CAS_84-66-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC2yFt" ;
skos:prefLabel "diethylftalaat"@nl ;
vcs:vmmParameterId "63"^^xsd:int .
csc:SODPIMGUZLOIPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:26229 ;
dbo:casNumber "122-88-3" ;
dbo:formula "C8H7ClO3" ;
dbo:inchi "InChI=1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)" ;
dbo:iupacName "2-(4-chlorophenoxy)acetic acid"@en ;
dbo:pubchem "26229"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1OCC(=O)O)Cl" ;
dbp:inchikey "InChIKey=SODPIMGUZLOIPE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004525 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CPA" ;
skos:prefLabel "4-chloorfenoxyazijnzuur"@nl .
csc:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11776 ;
dbo:casNumber "112771-47-8" , "603-35-0" ;
dbo:formula "C18H15P" ;
dbo:inchi "InChI=1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H" ;
dbo:iupacName "tri(phenyl)phosphane"@en ;
dbo:pubchem "11776"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=RIOQSEWOXXDEQQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001814 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Tfyffne" ;
skos:prefLabel "trifenylfosfine"@nl .
csc:HERSSAVMHCMYSQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16 ;
dbo:casNumber "56403-09-9" ;
dbo:formula "C12H22N2O2" ;
dbo:inchi "InChI=1S/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)" ;
dbo:iupacName "1,8-Diazacyclotetradecane-2,9-dione"@en ;
dbo:pubchem "16"^^xsd:int ;
dbo:smiles "C1CCC(=O)NCCCCCC(=O)NCC1" ;
dbp:inchikey "InChIKey=HERSSAVMHCMYSQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000064 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "18DazccC14a2" ;
skos:prefLabel "1,8-diazacyclotetradecaan-2,9-dion"@nl .
csc:ULDHMXUKGWMISQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7439 ;
dbo:casNumber "99-49-0" , "22327-39-5" ;
dbo:formula "C10H14O" ;
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3" ;
dbo:iupacName "2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one"@en ;
dbo:pubchem "7439"^^xsd:int ;
dbo:smiles "CC1=CCC(CC1=O)C(=C)C" ;
dbp:inchikey "InChIKey=ULDHMXUKGWMISQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001401 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "carvn" ;
skos:prefLabel "carvon"@nl .
csc:NZMAJUHVSZBJHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12975 ;
dbo:casNumber "761-65-9" ;
dbo:formula "C9H19NO" ;
dbo:inchi "InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3" ;
dbo:iupacName "N,N-DIBUTYLFORMAMIDE"@en ;
dbo:pubchem "12975"^^xsd:int ;
dbo:smiles "CCCCN(CCCC)C=O" ;
dbp:inchikey "InChIKey=NZMAJUHVSZBJHL-UHFFFAOYSA-N" ;
skos:altLabel "N,N-dibutylformamide"@nl ;
skos:broader csc:CHEMONTID_0001664 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NNDC4yfAd" ;
skos:prefLabel "n,n-dibutylformamide"@nl .
csc:AWBIJARKDOFDAN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:32803 ;
dbo:casNumber "1331-15-3" , "25136-55-4" , "15176-21-3" ;
dbo:formula "C6H12O2" ;
dbo:inchi "InChI=1S/C6H12O2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3" ;
dbo:iupacName "2,5-dimethyl-1,4-dioxane"@en ;
dbo:pubchem "32803"^^xsd:int ;
dbo:smiles "CC1COC(CO1)C" ;
dbp:inchikey "InChIKey=AWBIJARKDOFDAN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001313 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1y14DOxa" ;
skos:prefLabel "2,5-dimethyl-1,4-dioxaan"@nl .
csc:OPXLLQIJSORQAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:4030 ;
dbo:casNumber "31431-39-7" ;
dbo:formula "C16H13N3O3" ;
dbo:inchi "InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)" ;
dbo:iupacName "methyl N-[6-(benzoyl)-1H-benzimidazol-2-yl]carbamate"@en ;
dbo:pubchem "4030"^^xsd:int ;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3" ;
dbp:inchikey "InChIKey=OPXLLQIJSORQAM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "mebdzl" ;
skos:prefLabel "mebendazol"@nl .
csc:RECCURWJDVZHIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8796 ;
dbo:casNumber "1967-26-6" , "140-38-5" ;
dbo:formula "C7H7ClN2O" ;
dbo:inchi "InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)" ;
dbo:iupacName "(4-CHLOROPHENYL)UREA"@en ;
dbo:pubchem "8796"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1NC(=O)N)Cl" ;
dbp:inchikey "InChIKey=RECCURWJDVZHIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14ClFyurum" ;
skos:prefLabel "1-(4-chloorfenyl)ureum"@nl .
csc:UPVZPMJSRSWJHQ-HTXSYXIBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:87529 ;
dbo:casNumber "18252-44-3" ;
dbo:formula "C15H24" ;
dbo:inchi "InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m0/s1" ;
dbo:iupacName "(1R,2S,8S)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane"@en ;
dbo:pubchem "87529"^^xsd:int ;
dbo:smiles "CC(C)C1CCC2(C3C1C2C(=C)CC3)C" ;
dbp:inchikey "InChIKey=UPVZPMJSRSWJHQ-HTXSYXIBSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bcpene" ;
skos:prefLabel "beta-copaene"@nl .
csc:HWHLPVGTWGOCJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5572 ;
dbo:casNumber "144-11-6" ;
dbo:formula "C20H31NO" ;
dbo:inchi "InChI=1S/C20H31NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2" ;
dbo:iupacName "1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol"@en ;
dbo:pubchem "5572"^^xsd:int ;
dbo:smiles "C1CCC(CC1)C(CCN2CCCCC2)(C3=CC=CC=C3)O" ;
dbp:inchikey "InChIKey=HWHLPVGTWGOCJO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Thxfidl" ;
skos:prefLabel "trihexyfenidyl"@nl .
csc:OGPBJKLSAFTDLK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23981 ;
dbo:casNumber "110123-53-0" , "7440-53-1" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu" ;
dbo:iupacName "EUROPIUM"@en ;
dbo:pubchem "23981"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu" ;
skos:prefLabel "europium"@nl .
csc:CBCKQZAAMUWICA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7814 ;
dbo:casNumber "106-50-3" , "56481-76-6" ;
dbo:formula "C6H8N2" ;
dbo:inchi "InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2" ;
dbo:iupacName "benzene-1,4-diamine"@en ;
dbo:pubchem "7814"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1N)N" ;
dbp:inchikey "InChIKey=CBCKQZAAMUWICA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14DAoBen" ;
skos:prefLabel "1,4-diaminobenzeen"@nl .
csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2087 ;
dbo:casNumber "309-00-2" ;
dbo:formula "C12H8Cl6" ;
dbo:inchi "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2" ;
dbo:iupacName "1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene"@en ;
dbo:pubchem "2087"^^xsd:int ;
dbo:smiles "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=QBYJBZPUGVGKQQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:WAC_IV_B_010 ;
skos:broader csc:CHEMONTID_0002863 ;
skos:exactMatch wise:CAS_309-00-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "aldn" ;
skos:prefLabel "aldrin"@nl ;
vcs:vmmParameterId "232"^^xsd:int .
csc:ATQUFXWBVZUTKO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12746 ;
dbo:casNumber "27476-50-2" , "693-89-0" ;
dbo:formula "C6H10" ;
dbo:inchi "InChI=1S/C6H10/c1-6-4-2-3-5-6/h4H,2-3,5H2,1H3" ;
dbo:iupacName "1-Methylcyclopentene"@en ;
dbo:pubchem "12746"^^xsd:int ;
dbo:smiles "CC1=CCCC1" ;
dbp:inchikey "InChIKey=ATQUFXWBVZUTKO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004622 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yccC5e" ;
skos:prefLabel "methylcyclopenteen"@nl .
csc:ZWPVHELAQPIZHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38876 ;
dbo:casNumber "110866-20-1" , "41464-40-8" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-2-4-11(15)10(5-7)9-3-1-8(14)6-12(9)16/h1-6H" ;
dbo:iupacName "2,4-dichloro-1-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "38876"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C=CC(=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=ZWPVHELAQPIZHO-UHFFFAOYSA-N" ;
skos:altLabel "2,2',4,5'-tetrachloorbifenyl"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB49" ;
skos:prefLabel "2,2',4,5'-tetrachloorbifenyl (pcb49)"@nl .
csc:XWTYSIMOBUGWOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5403 ;
dbo:casNumber "46719-29-3" , "23031-25-6" ;
dbo:formula "C12H19NO3" ;
dbo:inchi "InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3" ;
dbo:iupacName "5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol"@en ;
dbo:pubchem "5403"^^xsd:int ;
dbo:smiles "CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O" ;
dbp:inchikey "InChIKey=XWTYSIMOBUGWOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000137 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbtlne" ;
skos:prefLabel "terbutaline"@nl .
csc:LSDPWZHWYPCBBB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:878 ;
dbo:casNumber "17719-48-1" , "74-93-1" , "63933-47-1" ;
dbo:formula "CH4S" ;
dbo:inchi "InChI=1S/CH4S/c1-2/h2H,1H3" ;
dbo:iupacName "METHANETHIOL"@en ;
dbo:pubchem "878"^^xsd:int ;
dbo:smiles "CS" ;
dbp:inchikey "InChIKey=LSDPWZHWYPCBBB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001212 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1atol" ;
skos:prefLabel "methaanthiol"@nl .
csc:OGYFATSSENRIKG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91692 ;
dbo:casNumber "66063-05-6" ;
dbo:formula "C19H21ClN2O" ;
dbo:inchi "InChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)" ;
dbo:iupacName "1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea"@en ;
dbo:pubchem "91692"^^xsd:int ;
dbo:smiles "C1CCC(C1)N(CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3" ;
dbp:inchikey "InChIKey=OGYFATSSENRIKG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "penccrn" ;
skos:prefLabel "pencycuron"@nl .
csc:RQEUFEKYXDPUSK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7408 ;
dbo:casNumber "618-36-0" , "98-84-0" , "3886-69-9" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3" ;
dbo:iupacName "1-Phenylethanamine"@en ;
dbo:pubchem "7408"^^xsd:int ;
dbo:smiles "CC(C1=CC=CC=C1)N" ;
dbp:inchikey "InChIKey=RQEUFEKYXDPUSK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1FyC2yAe" ;
skos:prefLabel "a-fenylethylamine"@nl .
csc:PCIUEQPBYFRTEM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9555 ;
dbo:casNumber "335-76-2" ;
dbo:formula "C10HF19O2" ;
dbo:inchi "InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)" ;
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoic acid"@en ;
dbo:pubchem "9555"^^xsd:int ;
dbo:smiles "C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O" ;
dbp:inchikey "InChIKey=PCIUEQPBYFRTEM-UHFFFAOYSA-N" ;
skos:altLabel "perfluordecaanzuur (pfda)"@nl , "perfluordecaanzuur"@nl , "perfluor-n-decaanzuur"@nl ;
skos:broader csc:CHEMONTID_0003962 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PFDA" ;
skos:prefLabel "perfluor-n-decaanzuur (pfda)"@nl .
csc:HKIOYBQGHSTUDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8607 ;
dbo:casNumber "52306-33-9" , "133-07-3" ;
dbo:formula "C9H4Cl3NO2S" ;
dbo:inchi "InChI=1S/C9H4Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-4H" ;
dbo:iupacName "2-(trichloromethylsulfanyl)isoindole-1,3-dione"@en ;
dbo:pubchem "8607"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)N(C2=O)SC(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=HKIOYBQGHSTUDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "folpt" ;
skos:prefLabel "folpet"@nl .
csc:QZCLKYGREBVARF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6505 ;
dbo:casNumber "37070-91-0" , "77-90-7" ;
dbo:formula "C20H34O8" ;
dbo:inchi "InChI=1S/C20H34O8/c1-5-8-11-25-17(22)14-20(28-16(4)21,19(24)27-13-10-7-3)15-18(23)26-12-9-6-2/h5-15H2,1-4H3" ;
dbo:iupacName "1,2,3-tributyl 2-acetyloxypropane-1,2,3-tricarboxylate"@en ;
dbo:pubchem "6505"^^xsd:int ;
dbo:smiles "CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C" ;
dbp:inchikey "InChIKey=QZCLKYGREBVARF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002966 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yactcitt" ;
skos:prefLabel "tributylacetylcitraat"@nl .
csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37035 ;
dbo:casNumber "35065-28-2" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene"@en ;
dbo:pubchem "37035"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RPUMZMSNLZHIGZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb 138"@nl , "pcb-138"@nl , "2,2',3,4,4',5'-hexachloorbifenyl (pcb138)"@nl , "PCB-138"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35065-28-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB138" ;
skos:prefLabel "2,2',3,4,4',5'-hexachloorbifenyl"@nl ;
vcs:vmmParameterId "1414"^^xsd:int , "436"^^xsd:int .
csc:YLQLIQIAXYRMDL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24847 ;
dbo:casNumber "10042-59-8" ;
dbo:formula "C10H22O" ;
dbo:inchi "InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "2-Propylheptan-1-ol"@en ;
dbo:pubchem "24847"^^xsd:int ;
dbo:smiles "CCCCCC(CCC)CO" ;
dbp:inchikey "InChIKey=YLQLIQIAXYRMDL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C3y1C7ol" ;
skos:prefLabel "2-propyl-1-heptanol"@nl .
csc:WRMNZCZEMHIOCP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6054 ;
dbo:casNumber "60-12-8" , "1321-27-3" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2" ;
dbo:iupacName "2-PHENYLETHANOL"@en ;
dbo:pubchem "6054"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCO" ;
dbp:inchikey "InChIKey=WRMNZCZEMHIOCP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1Fy2C2ol" ;
skos:prefLabel "1-fenyl-2-ethanol"@nl .
csc:VZGDMQKNWNREIO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR III (D3) "@nl ;
rdfs:seeAlso compound:5943 ;
dbo:casNumber "56-23-5" ;
dbo:formula "CCl4" ;
dbo:inchi "InChI=1S/CCl4/c2-1(3,4)5" ;
dbo:iupacName "Tetrachloromethane"@en ;
dbo:pubchem "5943"^^xsd:int ;
dbo:smiles "C(Cl)(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=VZGDMQKNWNREIO-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_002 , co:LUC_IV_000 ;
skos:altLabel "tetrachloormethaan (tetra)"@nl , "tetrachloormethaan"@nl ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_56-23-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "T4ClC1a" ;
skos:prefLabel "koolstoftetrachloride"@nl ;
vcs:vmmParameterId "383"^^xsd:int .
csc:AFBPFSWMIHJQDM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7515 ;
dbo:casNumber "100-61-8" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3" ;
dbo:iupacName "N-Methylaniline"@en ;
dbo:pubchem "7515"^^xsd:int ;
dbo:smiles "CNC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=AFBPFSWMIHJQDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003924 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yAn" ;
skos:prefLabel "methylaniline"@nl .
csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5558 ;
dbo:casNumber "75-25-2" , "4471-18-5" ;
dbo:formula "CHBr3" ;
dbo:inchi "InChI=1S/CHBr3/c2-1(3)4/h1H" ;
dbo:iupacName "Bromoform"@en ;
dbo:pubchem "5558"^^xsd:int ;
dbo:smiles "C(Br)(Br)Br" ;
dbp:inchikey "InChIKey=DIKBFYAXUHHXCS-UHFFFAOYSA-N" ;
skos:altLabel "bromoform"@nl ;
skos:broader csc:CHEMONTID_0004160 ;
skos:exactMatch wise:CAS_75-25-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TBrC1a" ;
skos:prefLabel "tribroommethaan"@nl ;
vcs:vmmParameterId "384"^^xsd:int .
csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5821911 ;
dbo:casNumber "153719-23-4" ;
dbo:formula "C8H10ClN5O3S" ;
dbo:inchi "InChI=1S/C8H10ClN5O3S/c1-12-4-17-5-13(8(12)11-14(15)16)3-6-2-10-7(9)18-6/h2H,3-5H2,1H3/b11-8+" ;
dbo:iupacName "['(NE)-N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide', 'N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-1,3,5-oxadiazinan-4-ylidene]nitramide']"@en ;
dbo:pubchem "5821911"^^xsd:int ;
dbo:smiles "CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)Cl" ;
dbp:inchikey "InChIKey=NWWZPOKUUAIXIW-DHZHZOJOSA-N" ;
skos:broader csc:CHEMONTID_0002635 ;
skos:exactMatch wise:CAS_153719-23-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "thiamtxm" ;
skos:prefLabel "thiamethoxam"@nl ;
vcs:vmmParameterId "1439"^^xsd:int .
csc:GVGLGOZIDCSQPN-PVHGPHFFSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5462328 ;
dbo:casNumber "2078-90-2" , "561-27-3" ;
dbo:formula "C21H23NO5" ;
dbo:inchi "InChI=1S/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1" ;
dbo:iupacName "[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate"@en ;
dbo:pubchem "5462328"^^xsd:int ;
dbo:smiles "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC(=O)C)CCN3C" ;
dbp:inchikey "InChIKey=GVGLGOZIDCSQPN-PVHGPHFFSA-N" ;
skos:broader csc:CHEMONTID_0000058 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dactmfne" ;
skos:prefLabel "diacetylmorfine"@nl .
csc:ABOVRDBEJDIBMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:67788 ;
dbo:casNumber "370-50-3" ;
dbo:formula "C15H8Cl2F6N2O" ;
dbo:inchi "InChI=1S/C15H8Cl2F6N2O/c16-11-3-1-7(5-9(11)14(18,19)20)24-13(26)25-8-2-4-12(17)10(6-8)15(21,22)23/h1-6H,(H2,24,25,26)" ;
dbo:iupacName "1,3-bis[4-chloro-3-(trifluoromethyl)phenyl]urea"@en ;
dbo:pubchem "67788"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=ABOVRDBEJDIBMZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flucfrn" ;
skos:prefLabel "flucofuron"@nl .
csc:MRUDNSFOFOQZDA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5758 ;
dbo:casNumber "50-30-6" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)" ;
dbo:iupacName "2,6-Dichlorobenzoic acid"@en ;
dbo:pubchem "5758"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)O)Cl" ;
dbp:inchikey "InChIKey=MRUDNSFOFOQZDA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DClbenzzr" ;
skos:prefLabel "2,6-dichloorbenzoezuur"@nl .
csc:UURAUHCOJAIIRQ-QGLSALSOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:656958 ;
dbo:casNumber "55297-95-5" ;
dbo:formula "C28H47NO4S" ;
dbo:inchi "InChI=1S/C28H47NO4S/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1" ;
dbo:iupacName "[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate"@en ;
dbo:pubchem "656958"^^xsd:int ;
dbo:smiles "CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C" ;
dbp:inchikey "InChIKey=UURAUHCOJAIIRQ-QGLSALSOSA-N" ;
skos:altLabel "thiamuline"@nl ;
skos:broader csc:CHEMONTID_0002003 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tiamlne" ;
skos:prefLabel "tiamuline"@nl .
csc:CRCBRZBVCDKPGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40469 ;
dbo:casNumber "52663-61-3" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-10(15)8(3-6)9-4-7(14)5-11(16)12(9)17/h1-5H" ;
dbo:iupacName "1,2,5-trichloro-3-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "40469"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CRCBRZBVCDKPGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB92" ;
skos:prefLabel "2,2',3,5,5'-pentachloorbifenyl"@nl .
csc:MDNWOSOZYLHTCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3037 ;
dbo:casNumber "1322-43-6" , "8017-86-5" , "97-23-4" ;
dbo:formula "C13H10Cl2O2" ;
dbo:inchi "InChI=1S/C13H10Cl2O2/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17/h1-4,6-7,16-17H,5H2" ;
dbo:iupacName "4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "3037"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O" ;
dbp:inchikey "InChIKey=MDNWOSOZYLHTCG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DClfn" ;
skos:prefLabel "dichloorfeen"@nl .
csc:QUMDOMSJJIFTCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:66222 ;
dbo:casNumber "78-74-0" ;
dbo:formula "C2H3Br3" ;
dbo:inchi "InChI=1S/C2H3Br3/c3-1-2(4)5/h2H,1H2" ;
dbo:iupacName "1,1,2-Tribromoethane"@en ;
dbo:pubchem "66222"^^xsd:int ;
dbo:smiles "C(C(Br)Br)Br" ;
dbp:inchikey "InChIKey=QUMDOMSJJIFTCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001515 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TBrC2a" ;
skos:prefLabel "1,1,2-tribroomethaan"@nl .
csc:MYWUZJCMWCOHBA-VIFPVBQESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:10836 ;
dbo:casNumber "45952-89-4" , "1690-86-4" , "14611-50-8" , "537-46-2" , "139-47-9" ;
dbo:formula "C10H15N" ;
dbo:inchi "InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1" ;
dbo:iupacName "(2S)-N-methyl-1-phenylpropan-2-amine"@en ;
dbo:pubchem "10836"^^xsd:int ;
dbo:smiles "CC(CC1=CC=CC=C1)NC" ;
dbp:inchikey "InChIKey=MYWUZJCMWCOHBA-VIFPVBQESA-N" ;
skos:broader csc:CHEMONTID_0000188 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "methafAe" ;
skos:prefLabel "methamfetamine"@nl .
csc:KJPRLNWUNMBNBZ-QPJJXVBHSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:637511 ;
dbo:casNumber "14371-10-9" , "104-55-2" ;
dbo:formula "C9H8O" ;
dbo:inchi "InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H/b7-4+" ;
dbo:iupacName "['(E)-3-phenylprop-2-enal', '3-phenylprop-2-enal']"@en ;
dbo:pubchem "637511"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C=CC=O" ;
dbp:inchikey "InChIKey=KJPRLNWUNMBNBZ-QPJJXVBHSA-N" ;
skos:broader csc:CHEMONTID_0000029 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cinnAh" ;
skos:prefLabel "cinnamaldehyde"@nl .
csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:95827 ;
dbo:casNumber "6339-19-1" ;
dbo:formula "C4H4ClN3O" ;
dbo:inchi "InChI=1S/C4H4ClN3O/c5-3-2(6)1-7-8-4(3)9/h1H,(H3,6,8,9)" ;
dbo:iupacName "5-amino-4-chloro-2H-pyridazin-3-one"@en ;
dbo:pubchem "95827"^^xsd:int ;
dbo:smiles "C1=NNC(=O)C(=C1N)Cl" ;
dbp:inchikey "InChIKey=FEWPCPCEGBPTAL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001924 ;
skos:exactMatch wise:CAS_6339-19-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "desFyClidzn" ;
skos:prefLabel "desfenylchloridazon"@nl ;
vcs:vmmParameterId "1534"^^xsd:int .
csc:HPFDGTFXAVIVTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:30111 ;
dbo:casNumber "109201-64-1" , "20324-33-8" , "1335-22-4" ;
dbo:formula "C10H22O4" ;
dbo:inchi "InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3" ;
dbo:iupacName "1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol"@en ;
dbo:pubchem "30111"^^xsd:int ;
dbo:smiles "CC(COC(C)COC(C)COC)O" ;
dbp:inchikey "InChIKey=HPFDGTFXAVIVTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yegcC1yEt" ;
skos:prefLabel "tripropyleenglycolmonomethylether"@nl .
csc:IZEZAMILKKYOPW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:75893 ;
dbo:casNumber "2683-43-4" ;
dbo:formula "C6H4Cl2N2O2" ;
dbo:inchi "InChI=1S/C6H4Cl2N2O2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H,9H2" ;
dbo:iupacName "2,4-Dichloro-6-nitroaniline"@en ;
dbo:pubchem "75893"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1[N+](=O)[O-])N)Cl)Cl" ;
dbp:inchikey "InChIKey=IZEZAMILKKYOPW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DCl6NO2An" ;
skos:prefLabel "2,4-dichloor-6-nitroaniline"@nl .
csc:NVHBFHMWJJMQTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:20655 ;
dbo:casNumber "4536-87-2" ;
dbo:formula "C17H28" ;
dbo:inchi "InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3" ;
dbo:iupacName "undecan-3-ylbenzene"@en ;
dbo:pubchem "20655"^^xsd:int ;
dbo:smiles "CCCCCCCCC(CC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NVHBFHMWJJMQTG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C2yC9yBen" ;
skos:prefLabel "(1-ethylnonyl)-benzeen"@nl .
csc:IEDKVDCIEARIIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:69423 ;
dbo:casNumber "629-66-3" ;
dbo:formula "C19H38O" ;
dbo:inchi "InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3" ;
dbo:iupacName "Nonadecan-2-one"@en ;
dbo:pubchem "69423"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)C" ;
dbp:inchikey "InChIKey=IEDKVDCIEARIIU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C19on" ;
skos:prefLabel "2-nonadecanon"@nl .
csc:PZTAFRMXSAAHMQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:36637 ;
dbo:casNumber "33954-26-6" , "28179-44-4" ;
dbo:formula "C12H10I3N2NaO5" ;
dbo:inchi "InChI=1S/C12H11I3N2O5.Na/c1-4(19)17-10-8(14)5(11(20)16-2-3-18)7(13)6(9(10)15)12(21)22;/h18H,2-3H2,1H3,(H,16,20)(H,17,19)(H,21,22);/q;+1/p-1" ;
dbo:iupacName "sodium 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoate"@en ;
dbo:pubchem "36637"^^xsd:int ;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NCCO)I.[Na+]" ;
dbp:inchikey "InChIKey=PZTAFRMXSAAHMQ-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004361 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "joxtlmnzr" ;
skos:prefLabel "joxitalaminezuur"@nl .
csc:ATJFFYVFTNAWJD-VENIDDJXSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335514 ;
dbo:casNumber "13966-06-8" ;
dbo:formula "Sn" ;
dbo:inchi "InChI=1S/Sn/i1-6" ;
dbo:iupacName "tin-113"@en ;
dbo:pubchem "6335514"^^xsd:int ;
dbo:smiles "[Sn]" ;
dbp:inchikey "InChIKey=ATJFFYVFTNAWJD-VENIDDJXSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sn113" ;
skos:prefLabel "tin 113"@nl .
csc:SZHOJFHSIKHZHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12530 ;
dbo:casNumber "638-53-9" , "68002-90-4" ;
dbo:formula "C13H26O2" ;
dbo:inchi "InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)" ;
dbo:iupacName "Tridecanoic acid"@en ;
dbo:pubchem "12530"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=SZHOJFHSIKHZHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C13azr" ;
skos:prefLabel "tridecaanzuur"@nl .
csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1061 ;
dbo:casNumber "264888-19-9" , "14265-44-2" , "68891-72-5" ;
dbo:formula "O4P-3" ;
dbo:inchi "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3" ;
dbo:iupacName "phosphate"@en ;
dbo:pubchem "1061"^^xsd:int ;
dbo:smiles "[O-]P(=O)([O-])[O-]" ;
dbp:inchikey "InChIKey=NBIIXXVUZAFLBC-UHFFFAOYSA-K" ;
dct:isReferencedBy co:WAC_III_C_010 ;
skos:altLabel "fosfaat"@nl ;
skos:broader csc:CHEMONTID_0001073 ;
skos:exactMatch wise:CAS_14265-44-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PO4" ;
skos:prefLabel "orthofosfaat"@nl ;
vcs:vmmParameterId "12"^^xsd:int , "852"^^xsd:int , "11"^^xsd:int .
csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12232 ;
dbo:casNumber "624-92-0" , "68920-64-9" ;
dbo:formula "C2H6S2" ;
dbo:inchi "InChI=1S/C2H6S2/c1-3-4-2/h1-2H3" ;
dbo:iupacName "Methyldisulfanylmethane"@en ;
dbo:pubchem "12232"^^xsd:int ;
dbo:smiles "CSSC" ;
dbp:inchikey "InChIKey=WQOXQRCZOLPYPM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004089 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC1yDS" ;
skos:prefLabel "dimethyldisulfide"@nl .
csc:DKYWVDODHFEZIM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3825 ;
dbo:casNumber "22161-86-0" , "172964-50-0" , "22071-15-4" ;
dbo:formula "C16H14O3" ;
dbo:inchi "InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)" ;
dbo:iupacName "2-[3-(benzoyl)phenyl]propanoic acid"@en ;
dbo:pubchem "3825"^^xsd:int ;
dbo:smiles "CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O" ;
dbp:inchikey "InChIKey=DKYWVDODHFEZIM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000120 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ketpfn" ;
skos:prefLabel "ketoprofen"@nl .
csc:GBKZRUCVLTWAML-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12466 ;
dbo:casNumber "634-83-3" ;
dbo:formula "C6H3Cl4N" ;
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2" ;
dbo:iupacName "2,3,4,5-TETRACHLOROANILINE"@en ;
dbo:pubchem "12466"^^xsd:int ;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N" ;
dbp:inchikey "InChIKey=GBKZRUCVLTWAML-UHFFFAOYSA-N" ;
skos:altLabel "2,3,4,5-tetrachlooraniline"@nl ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2345T4ClAn" ;
skos:prefLabel "2,3,4,5 tetrachlooraniline"@nl .
csc:XXYMSQQCBUKFHE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:13271 ;
dbo:casNumber "836-30-6" ;
dbo:formula "C12H10N2O2" ;
dbo:inchi "InChI=1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H" ;
dbo:iupacName "4-Nitro-N-phenylaniline"@en ;
dbo:pubchem "13271"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=XXYMSQQCBUKFHE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4NO2DFyAe" ;
skos:prefLabel "4-nitrodifenylamine"@nl .
csc:KHCZSJXTDDHLGJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10693 ;
dbo:casNumber "527-20-8" ;
dbo:formula "C6H2Cl5N" ;
dbo:inchi "InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2" ;
dbo:iupacName "2,3,4,5,6-Pentachloroaniline"@en ;
dbo:pubchem "10693"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)N" ;
dbp:inchikey "InChIKey=KHCZSJXTDDHLGJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClAn" ;
skos:prefLabel "pentachlooraniline"@nl .
csc:HIILBTHBHCLUER-IWQZZHSRSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5370144 ;
dbo:casNumber "13116-57-9" , "96-19-5" ;
dbo:formula "C3H3Cl3" ;
dbo:inchi "InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1-" ;
dbo:iupacName "['(Z)-1,2,3-trichloroprop-1-ene', '1,2,3-trichloroprop-1-ene']"@en ;
dbo:pubchem "5370144"^^xsd:int ;
dbo:smiles "C(C(=CCl)Cl)Cl" ;
dbp:inchikey "InChIKey=HIILBTHBHCLUER-IWQZZHSRSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClC3e" ;
skos:prefLabel "1,2,3-trichloorpropeen"@nl .
csc:JDZUWXRNKHXZFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91721 ;
dbo:casNumber "74472-52-9" ;
dbo:formula "C12H2Cl8" ;
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-4(14)6(5(15)2-3)7-8(16)10(18)12(20)11(19)9(7)17/h1-2H" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,4,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "91721"^^xsd:int ;
dbo:smiles "C1=C(C=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=JDZUWXRNKHXZFE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB204" ;
skos:prefLabel "2,2',3,4,4',5,6,6'-octachloorbifenyl"@nl .
csc:VGTPCRGMBIAPIM-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10905 ;
dbo:casNumber "13249-87-1" , "104345-12-2" , "540-72-7" ;
dbo:formula "CNNaS" ;
dbo:inchi "InChI=1S/CHNS.Na/c2-1-3;/h3H;/q;+1/p-1" ;
dbo:iupacName "['SODIUM THIOCYANATE', 'Sodium isothiocyanate']"@en ;
dbo:pubchem "10905"^^xsd:int ;
dbo:smiles "C(#N)[S-].[Na+]" ;
dbp:inchikey "InChIKey=VGTPCRGMBIAPIM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0004611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NatoCN" ;
skos:prefLabel "natriumthiocyanaat"@nl .
csc:IAYPIBMASNFSPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl , "VLAR III (D3) 'ethyleenoxide'"@nl ;
rdfs:seeAlso compound:6354 ;
dbo:casNumber "184288-32-2" , "99932-75-9" , "19034-08-3" , "9072-62-2" , "75-21-8" , "37341-05-2" ;
dbo:formula "C2H4O" ;
dbo:inchi "InChI=1S/C2H4O/c1-2-3-1/h1-2H2" ;
dbo:iupacName "['Oxirane', '1-oxacycloprop-2-yne']"@en ;
dbo:pubchem "6354"^^xsd:int ;
dbo:smiles "C1CO1" ;
dbp:inchikey "InChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenoxide "@nl ;
skos:broader csc:CHEMONTID_0000159 ;
skos:exactMatch wise:CAS_75-21-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yeO" ;
skos:prefLabel "ethyleenoxide"@nl ;
vcs:vmmParameterId "848"^^xsd:int .
csc:NMWSKOLWZZWHPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16322 ;
dbo:casNumber "2051-61-8" ;
dbo:formula "C12H9Cl" ;
dbo:inchi "InChI=1S/C12H9Cl/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H" ;
dbo:iupacName "1-chloro-3-phenylbenzene"@en ;
dbo:pubchem "16322"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC(=CC=C2)Cl" ;
dbp:inchikey "InChIKey=NMWSKOLWZZWHPL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB2" ;
skos:prefLabel "3-chloorbifenyl"@nl .
csc:KVWWIYGFBYDJQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:102861 ;
dbo:casNumber "80450-69-7" , "24851-98-7" , "29852-02-6" , "2630-39-9" ;
dbo:formula "C13H22O3" ;
dbo:inchi "InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3" ;
dbo:iupacName "methyl 2-(3-oxo-2-pentylcyclopentyl)acetate"@en ;
dbo:pubchem "102861"^^xsd:int ;
dbo:smiles "CCCCCC1C(CCC1=O)CC(=O)OC" ;
dbp:inchikey "InChIKey=KVWWIYGFBYDJQC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000512 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yDHjasmnt" ;
skos:prefLabel "methyldihydrojasmonaat"@nl .
csc:RCRHKXGEYNVPDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17426 ;
dbo:casNumber "2588-05-8" ;
dbo:formula "C7H17O4PS2" ;
dbo:inchi "InChI=1S/C7H17O4PS2/c1-4-10-12(8,11-5-2)13-7-14(9)6-3/h4-7H2,1-3H3" ;
dbo:iupacName "1-(ethoxy-(ethylsulfinylmethylsulfanyl)phosphoryl)oxyethane"@en ;
dbo:pubchem "17426"^^xsd:int ;
dbo:smiles "CCOP(=O)(OCC)SCS(=O)CC" ;
dbp:inchikey "InChIKey=RCRHKXGEYNVPDK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000491 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "forOonSO" ;
skos:prefLabel "foraat-oxon-sulfoxide"@nl .
csc:RAPZEAPATHNIPO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5073 ;
dbo:casNumber "106266-06-2" ;
dbo:formula "C23H27FN4O2" ;
dbo:inchi "InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3" ;
dbo:iupacName "3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[2,1-b]pyrimidin-4-one"@en ;
dbo:pubchem "5073"^^xsd:int ;
dbo:smiles "CC1=C(C(=O)N2CCCCC2=N1)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F" ;
dbp:inchikey "InChIKey=RAPZEAPATHNIPO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001859 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "risprdne" ;
skos:prefLabel "risperidone"@nl .
csc:IBXPYPUJPLLOIN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3090 ;
dbo:casNumber "551-92-8" ;
dbo:formula "C5H7N3O2" ;
dbo:inchi "InChI=1S/C5H7N3O2/c1-4-6-3-5(7(4)2)8(9)10/h3H,1-2H3" ;
dbo:iupacName "1,2-Dimethyl-5-nitroimidazole"@en ;
dbo:pubchem "3090"^^xsd:int ;
dbo:smiles "CC1=NC=C(N1C)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=IBXPYPUJPLLOIN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000242 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmTdzl" ;
skos:prefLabel "dimetridazol"@nl .
csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:23448 ;
dbo:casNumber "7012-37-5" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H" ;
dbo:iupacName "2,4-dichloro-1-(4-chlorophenyl)benzene"@en ;
dbo:pubchem "23448"^^xsd:int ;
dbo:smiles "C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BZTYNSQSZHARAZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "pcb-28"@nl , "pcb 28"@nl , "2,4,4'-trichloorbifenyl"@nl , "2,4,4'-trichloorbifenyl (pcb28)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_7012-37-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB28" ;
skos:prefLabel "PCB-28"@nl ;
vcs:vmmParameterId "444"^^xsd:int , "1417"^^xsd:int .
csc:UCZDDMGNCJJAHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:115266 ;
dbo:casNumber "5278-95-5" ;
dbo:formula "C2HBr2ClO2" ;
dbo:inchi "InChI=1S/C2HBr2ClO2/c3-2(4,5)1(6)7/h(H,6,7)" ;
dbo:iupacName "2,2-dibromo-2-chloroacetic acid"@en ;
dbo:pubchem "115266"^^xsd:int ;
dbo:smiles "C(=O)(C(Cl)(Br)Br)O" ;
dbp:inchikey "InChIKey=UCZDDMGNCJJAHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003000 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBrClHAc" ;
skos:prefLabel "dibroomchloorazijnzuur"@nl .
csc:NSMUHPMZFPKNMZ-FCFLHPMBSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11953851 ;
dbo:casNumber "519-62-0" ;
dbo:formula "C55H70MgN4O6" ;
dbo:inchi "InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42;/h12,25,27-33,36,40,51H,1,13-24,26H2,2-11H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b34-25+;/t32?,33?,36-,40-,51?;/m0./s1" ;
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12-formyl-17,21,26-trimethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en ;
dbo:pubchem "11953851"^^xsd:int ;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C=O.[Mg+2]" ;
dbp:inchikey "InChIKey=NSMUHPMZFPKNMZ-FCFLHPMBSA-M" ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHLFb" ;
skos:prefLabel "chlorofyl-b"@nl .
csc:HJOVHMDZYOCNQW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6544 ;
dbo:casNumber "78-59-1" ;
dbo:formula "C9H14O" ;
dbo:inchi "InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3" ;
dbo:iupacName "3,5,5-trimethylcyclohex-2-en-1-one"@en ;
dbo:pubchem "6544"^^xsd:int ;
dbo:smiles "CC1=CC(=O)CC(C1)(C)C" ;
dbp:inchikey "InChIKey=HJOVHMDZYOCNQW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004325 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ifrn" ;
skos:prefLabel "isoforon"@nl .
csc:YJMNOKOLADGBKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6846 ;
dbo:casNumber "25551-35-3" , "86-53-3" ;
dbo:formula "C11H7N" ;
dbo:inchi "InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H" ;
dbo:iupacName "Naphthalene-1-carbonitrile"@en ;
dbo:pubchem "6846"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2C#N" ;
dbp:inchikey "InChIKey=YJMNOKOLADGBKA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Naf1cbntl" ;
skos:prefLabel "naftaleen-1-carbonitril"@nl .
csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:2879 ;
dbo:casNumber "106-44-5" , "72269-62-6" , "1319-77-3" , "2876-02-0" ;
dbo:formula "C7H8O" ;
dbo:inchi "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3" ;
dbo:iupacName "4-Methylphenol"@en ;
dbo:pubchem "2879"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=IWDCLRJOBJJRNH-UHFFFAOYSA-N" ;
skos:altLabel "p-cresol"@nl , "4-methylfenol (p-cresol)"@nl ;
skos:broader csc:CHEMONTID_0001275 ;
skos:exactMatch wise:CAS_106-44-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pcresl" , "scresl" ;
skos:prefLabel "4-methylfenol"@nl ;
vcs:vmmParameterId "695"^^xsd:int .
csc:PESKGJQREUXSRR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:85881 ;
dbo:casNumber "15600-08-5" ;
dbo:formula "C27H46O" ;
dbo:inchi "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3" ;
dbo:iupacName "10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one"@en ;
dbo:pubchem "85881"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C" ;
dbp:inchikey "InChIKey=PESKGJQREUXSRR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "5acholet3on" ;
skos:prefLabel "5-alfa-cholestan-3-one"@nl .
csc:YSXKPIUOCJLQIE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2381 ;
dbo:casNumber "514-65-8" ;
dbo:formula "C21H29NO" ;
dbo:inchi "InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2" ;
dbo:iupacName "1-(6-bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol"@en ;
dbo:pubchem "2381"^^xsd:int ;
dbo:smiles "C1CCN(CC1)CCC(C2CC3CC2C=C3)(C4=CC=CC=C4)O" ;
dbp:inchikey "InChIKey=YSXKPIUOCJLQIE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003899 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biprdn" ;
skos:prefLabel "biperiden"@nl .
csc:MCAHWIHFGHIESP-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:1090 ;
dbo:casNumber "14124-67-5" ;
dbo:formula "O3Se-2" ;
dbo:inchi "InChI=1S/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2" ;
dbo:iupacName "selenite"@en ;
dbo:pubchem "1090"^^xsd:int ;
dbo:smiles "[O-][Se](=O)[O-]" ;
dbp:inchikey "InChIKey=MCAHWIHFGHIESP-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0001076 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "SeO3" ;
skos:prefLabel "seleniet"@nl .
csc:OGPBJKLSAFTDLK-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:104907 ;
dbo:casNumber "14683-23-9" ;
dbo:formula "Eu" ;
dbo:inchi "InChI=1S/Eu/i1+0" ;
dbo:iupacName "europium-152"@en ;
dbo:pubchem "104907"^^xsd:int ;
dbo:smiles "[Eu]" ;
dbp:inchikey "InChIKey=OGPBJKLSAFTDLK-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Eu152" ;
skos:prefLabel "europium 152"@nl .
csc:OWDLFBLNMPCXSD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:42850 ;
dbo:casNumber "58810-48-3" , "75789-32-1" ;
dbo:formula "C14H16ClNO3" ;
dbo:inchi "InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3" ;
dbo:iupacName "2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide"@en ;
dbo:pubchem "42850"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl" ;
dbp:inchikey "InChIKey=OWDLFBLNMPCXSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000394 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ofrce" ;
skos:prefLabel "ofurace"@nl .
csc:CDMGNVWZXRKJNS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:24216 ;
dbo:casNumber "534-83-8" , "28994-41-4" , "1322-51-6" ;
dbo:formula "C13H12O" ;
dbo:inchi "InChI=1S/C13H12O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,14H,10H2" ;
dbo:iupacName "2-(phenylmethyl)phenol"@en ;
dbo:pubchem "24216"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CC2=CC=CC=C2O" ;
dbp:inchikey "InChIKey=CDMGNVWZXRKJNS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "2-benzylfenol"@nl .
csc:JLYFCTQDENRSOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:91744 ;
dbo:casNumber "87674-68-8" ;
dbo:formula "C12H18ClNO2S" ;
dbo:inchi "InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3" ;
dbo:iupacName "2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide"@en ;
dbo:pubchem "91744"^^xsd:int ;
dbo:smiles "CC1=CSC(=C1N(C(C)COC)C(=O)CCl)C" ;
dbp:inchikey "InChIKey=JLYFCTQDENRSOL-UHFFFAOYSA-N" ;
skos:altLabel "dimethenamid"@nl ;
skos:broader csc:CHEMONTID_0004144 ;
skos:exactMatch wise:CAS_87674-68-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DmtAd" ;
skos:prefLabel "dimethenamide"@nl ;
vcs:vmmParameterId "1231"^^xsd:int .
csc:JCDWETOKTFWTHA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:18369 ;
dbo:casNumber "3112-85-4" ;
dbo:formula "C7H8O2S" ;
dbo:inchi "InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3" ;
dbo:iupacName "methylsulfonylbenzene"@en ;
dbo:pubchem "18369"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=JCDWETOKTFWTHA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yFysfn" ;
skos:prefLabel "methylfenylsulfon"@nl .
csc:UQXKXGWGFRWILX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40818 ;
dbo:casNumber "121749-11-9" , "628-96-6" ;
dbo:formula "C2H4N2O6" ;
dbo:inchi "InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2" ;
dbo:iupacName "2-nitrooxyethyl nitrate"@en ;
dbo:pubchem "40818"^^xsd:int ;
dbo:smiles "C(CO[N+](=O)[O-])O[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=UQXKXGWGFRWILX-UHFFFAOYSA-N" ;
skos:altLabel "ethyleenglycoldinitraat (EGDN)"@nl ;
skos:broader csc:CHEMONTID_0004091 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2yegcDNO3" ;
skos:prefLabel "ethyleenglycoldinitraat (egdn)"@nl .
csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7958 ;
dbo:casNumber "68514-40-9" , "108-83-8" ;
dbo:formula "C9H18O" ;
dbo:inchi "InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3" ;
dbo:iupacName "2,6-Dimethylheptan-4-one"@en ;
dbo:pubchem "7958"^^xsd:int ;
dbo:smiles "CC(C)CC(=O)CC(C)C" ;
dbp:inchikey "InChIKey=PTTPXKJBFFKCEK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_012 , co:LUC_IV_007 ;
skos:altLabel "2,6-dimethyl-4-heptanon"@nl ;
skos:broader csc:CHEMONTID_0000118 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1y4C7on" ;
skos:prefLabel "2,6-dimethylheptaan-4-on"@nl .
csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:2078 ;
dbo:casNumber "15972-60-8" ;
dbo:formula "C14H20ClNO2" ;
dbo:inchi "InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3" ;
dbo:iupacName "2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide"@en ;
dbo:pubchem "2078"^^xsd:int ;
dbo:smiles "CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CCl" ;
dbp:inchikey "InChIKey=XCSGPAVHZFQHGE-UHFFFAOYSA-N" ;
skos:altLabel "alachlor"@nl ;
skos:broader csc:CHEMONTID_0000285 ;
skos:exactMatch wise:CAS_15972-60-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "alCl" ;
skos:prefLabel "alachloor"@nl ;
vcs:vmmParameterId "751"^^xsd:int .
csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:11525 ;
dbo:casNumber "1331-22-2" , "589-92-4" ;
dbo:formula "C7H12O" ;
dbo:inchi "InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3" ;
dbo:iupacName "4-methylcyclohexan-1-one"@en ;
dbo:pubchem "11525"^^xsd:int ;
dbo:smiles "CC1CCC(=O)CC1" ;
dbp:inchikey "InChIKey=VGVHNLRUAMRIEW-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_000 , co:LUC_IV_007 ;
skos:altLabel "methylcyclohexanon "@nl , "methylcyclohexanon"@nl ;
skos:broader csc:CHEMONTID_0003487 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cy1cycC6on" ;
skos:prefLabel "4-methylcyclohexanon"@nl .
csc:YHJDZIQOCSDIQU-OEDJVVDHSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62979 ;
dbo:casNumber "15686-71-2" , "105879-42-3" ;
dbo:formula "C16H20ClN3O5S" ;
dbo:inchi "InChI=1S/C16H17N3O4S.ClH.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H;1H2/t10-,11-,15-;;/m1../s1" ;
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid hydrate hydrochloride"@en ;
dbo:pubchem "62979"^^xsd:int ;
dbo:smiles "CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O.O.Cl" ;
dbp:inchikey "InChIKey=YHJDZIQOCSDIQU-OEDJVVDHSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "ceflxne" ;
skos:prefLabel "cefalexine"@nl .
csc:MXBVNILGVJVVMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9209 ;
dbo:casNumber "253-69-0" ;
dbo:formula "C8H6N2" ;
dbo:inchi "InChI=1S/C8H6N2/c1-2-7-3-5-9-6-8(7)10-4-1/h1-6H" ;
dbo:iupacName "1,7-NAPHTHYRIDINE"@en ;
dbo:pubchem "9209"^^xsd:int ;
dbo:smiles "C1=CC2=C(C=NC=C2)N=C1" ;
dbp:inchikey "InChIKey=MXBVNILGVJVVMH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001857 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "17naftrdne" ;
skos:prefLabel "1,7-naftyridine"@nl .
csc:ODZTXUXIYGJLMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:10785 ;
dbo:casNumber "114818-70-1" , "30282-14-5" , "533-60-8" ;
dbo:formula "C6H10O2" ;
dbo:inchi "InChI=1S/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2" ;
dbo:iupacName "2-Hydroxycyclohexan-1-one"@en ;
dbo:pubchem "10785"^^xsd:int ;
dbo:smiles "C1CCC(=O)C(C1)O" ;
dbp:inchikey "InChIKey=ODZTXUXIYGJLMC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001292 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2HOxccC6on" ;
skos:prefLabel "2-hydroxy-cyclohexanon"@nl .
csc:FZLIPJUXYLNCLC-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:104882 ;
dbo:casNumber "13981-28-7" ;
dbo:formula "La" ;
dbo:inchi "InChI=1S/La/i1+1" ;
dbo:iupacName "lanthanum-140"@en ;
dbo:pubchem "104882"^^xsd:int ;
dbo:smiles "[La]" ;
dbp:inchikey "InChIKey=FZLIPJUXYLNCLC-OUBTZVSYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "La140" ;
skos:prefLabel "lanthaan 140"@nl .
csc:AWYOMXWDGWUJHS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:93516 ;
dbo:casNumber "96182-53-5" ;
dbo:formula "C13H23N2O3PS" ;
dbo:inchi "InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3" ;
dbo:iupacName "(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "93516"^^xsd:int ;
dbo:smiles "CCOP(=S)(OC1=CN=C(N=C1)C(C)(C)C)OC(C)C" ;
dbp:inchikey "InChIKey=AWYOMXWDGWUJHS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004771 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tebprfs" ;
skos:prefLabel "tebupirimfos"@nl .
csc:ZYURHZPYMFLWSH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12408 ;
dbo:casNumber "630-02-4" ;
dbo:formula "C28H58" ;
dbo:inchi "InChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3" ;
dbo:iupacName "Octacosane"@en ;
dbo:pubchem "12408"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=ZYURHZPYMFLWSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C28a" ;
skos:prefLabel "octacosaan"@nl .
csc:KVBGVZZKJNLNJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8420 ;
dbo:casNumber "120-18-3" , "54257-18-0" ;
dbo:formula "C10H8O3S" ;
dbo:inchi "InChI=1S/C10H8O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,11,12,13)" ;
dbo:iupacName "naphthalene-2-sulfonic acid"@en ;
dbo:pubchem "8420"^^xsd:int ;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=KVBGVZZKJNLNJU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003601 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Nafsfzr" ;
skos:prefLabel "2-naftaleensulfonzuur"@nl .
csc:YMRMDGSNYHCUCL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9631 ;
dbo:casNumber "354-23-4" ;
dbo:formula "C2HCl2F3" ;
dbo:inchi "InChI=1S/C2HCl2F3/c3-1(5)2(4,6)7/h1H" ;
dbo:iupacName "1,2-Dichloro-1,1,2-trifluoroethane"@en ;
dbo:pubchem "9631"^^xsd:int ;
dbo:smiles "C(C(F)(F)Cl)(F)Cl" ;
dbp:inchikey "InChIKey=YMRMDGSNYHCUCL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK123a" ;
skos:prefLabel "1,2-dichloor-1,1,2-trifluorethaan"@nl .
csc:RGNPBRKPHBKNKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91741 ;
dbo:casNumber "86479-06-3" ;
dbo:formula "C16H8Cl2F6N2O3" ;
dbo:inchi "InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)" ;
dbo:iupacName "N-[[3,5-dichloro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]-2,6-difluorobenzamide"@en ;
dbo:pubchem "91741"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC(C(F)F)(F)F)Cl)F" ;
dbp:inchikey "InChIKey=RGNPBRKPHBKNKX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004513 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hxfmrn" ;
skos:prefLabel "hexaflumuron"@nl .
csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II diverse art."@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR bijl. 2.5.3. 'NO2'"@nl ;
rdfs:seeAlso compound:3032552 ;
dbo:casNumber "127999-62-6" , "78246-05-6" , "56003-83-9" , "119990-11-3" , "50443-93-1" , "66252-28-6" , "10102-44-0" ;
dbo:formula "NO2" ;
dbo:inchi "InChI=1S/NO2/c2-1-3" ;
dbo:iupacName "Nitrogen dioxide"@en ;
dbo:pubchem "3032552"^^xsd:int ;
dbo:smiles "N(=O)[O]" ;
dbp:inchikey "InChIKey=JCXJVPUVTGWSNB-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_II_001 ;
skos:altLabel "stikstofdioxide (no2)"@nl ;
skos:broader csc:CHEMONTID_0000554 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "stikstofdioxide (NO2)"@nl .
csc:XOJVVFBFDXDTEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15979 ;
dbo:casNumber "1921-70-6" ;
dbo:formula "C19H40" ;
dbo:inchi "InChI=1S/C19H40/c1-16(2)10-7-12-18(5)14-9-15-19(6)13-8-11-17(3)4/h16-19H,7-15H2,1-6H3" ;
dbo:iupacName "2,6,10,14-Tetramethylpentadecane"@en ;
dbo:pubchem "15979"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=XOJVVFBFDXDTEG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001357 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "261014T4C1yC" ;
skos:prefLabel "2,6,10,14-tetramethylpentadecaan"@nl .
csc:WATWJIUSRGPENY-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6335836 ;
dbo:casNumber "14374-79-9" ;
dbo:formula "Sb" ;
dbo:inchi "InChI=1S/Sb/i1+0" ;
dbo:iupacName "antimony-122"@en ;
dbo:pubchem "6335836"^^xsd:int ;
dbo:smiles "[Sb]" ;
dbp:inchikey "InChIKey=WATWJIUSRGPENY-IGMARMGPSA-N" ;
skos:broader csc:CHEMONTID_0000431 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Sb122" ;
skos:prefLabel "antimoon 122"@nl .
csc:HRBKVYFZANMGRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:21803 ;
dbo:casNumber "5598-13-0" ;
dbo:formula "C7H7Cl3NO3PS" ;
dbo:inchi "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3" ;
dbo:iupacName "dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane"@en ;
dbo:pubchem "21803"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HRBKVYFZANMGRE-UHFFFAOYSA-N" ;
skos:altLabel "methylchloorpyrifos"@nl , "chloorpyrifos-methyl"@nl ;
skos:broader csc:CHEMONTID_0004623 ;
skos:exactMatch wise:CAS_5598-13-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yClprfs" ;
skos:prefLabel "chlorpyrifos-methyl"@nl ;
vcs:vmmParameterId "687"^^xsd:int .
csc:XOUQAVYLRNOXDO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6937 ;
dbo:casNumber "88-60-8" ;
dbo:formula "C11H16O" ;
dbo:inchi "InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3" ;
dbo:iupacName "2-tert-Butyl-5-methylphenol"@en ;
dbo:pubchem "6937"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C(C)(C)C)O" ;
dbp:inchikey "InChIKey=XOUQAVYLRNOXDO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002811 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "211DC1yC2y5C" ;
skos:prefLabel "2-(1,1-dimethylethyl)-5-methylfenol"@nl .
csc:BWZVCCNYKMEVEX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7953 ;
dbo:casNumber "108-75-8" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-7(2)9-8(3)5-6/h4-5H,1-3H3" ;
dbo:iupacName "2,4,6-Trimethylpyridine"@en ;
dbo:pubchem "7953"^^xsd:int ;
dbo:smiles "CC1=CC(=NC(=C1)C)C" ;
dbp:inchikey "InChIKey=BWZVCCNYKMEVEX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "246TC1yprdne" ;
skos:prefLabel "2,4,6-trimethylpyridine"@nl .
csc:JLGLQAWTXXGVEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8178 ;
dbo:casNumber "112-35-6" ;
dbo:formula "C7H16O4" ;
dbo:inchi "InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3" ;
dbo:iupacName "2-[2-(2-Methoxyethoxy)ethoxy]ethanol"@en ;
dbo:pubchem "8178"^^xsd:int ;
dbo:smiles "COCCOCCOCCO" ;
dbp:inchikey "InChIKey=JLGLQAWTXXGVEM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "222C1oxC2oxC" ;
skos:prefLabel "2-(2-(2-methoxyethoxy)ethoxy)ethanol"@nl .
csc:JUWUWIGZUVEFQB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:107217 ;
dbo:casNumber "4057-31-2" ;
dbo:formula "C12H20O2" ;
dbo:inchi "InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3" ;
dbo:iupacName "(1,5,5-trimethyl-6-bicyclo[2.2.1]heptanyl) acetate"@en ;
dbo:pubchem "107217"^^xsd:int ;
dbo:smiles "CC(=O)OC1C(C2CCC1(C2)C)(C)C" ;
dbp:inchikey "InChIKey=JUWUWIGZUVEFQB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001564 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "afencactt" ;
skos:prefLabel "alfa-fenchylacetaat"@nl .
csc:OKBJVIVEFXPEOU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:38017 ;
dbo:casNumber "38380-05-1" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-4-7(14)11(17)9(6)5-1-2-8(15)12(18)10(5)16/h1-4H" ;
dbo:iupacName "1,2,3-trichloro-4-(2,3,6-trichlorophenyl)benzene"@en ;
dbo:pubchem "38017"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OKBJVIVEFXPEOU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB132" ;
skos:prefLabel "2,2',3,3',4,6'-hexachloorbifenyl"@nl .
csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6333 ;
dbo:casNumber "74-97-5" , "83847-49-8" , "13590-47-1" ;
dbo:formula "CH2BrCl" ;
dbo:inchi "InChI=1S/CH2BrCl/c2-1-3/h1H2" ;
dbo:iupacName "bromo-chloromethane"@en ;
dbo:pubchem "6333"^^xsd:int ;
dbo:smiles "C(Cl)Br" ;
dbp:inchikey "InChIKey=JPOXNPPZZKNXOV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004157 ;
skos:exactMatch wise:CAS_74-97-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "halon1011" ;
skos:prefLabel "broomchloormethaan"@nl ;
vcs:vmmParameterId "541"^^xsd:int .
csc:VXQBJTKSVGFQOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31288 ;
dbo:casNumber "98100-70-0" , "124-17-4" ;
dbo:formula "C10H20O4" ;
dbo:inchi "InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3" ;
dbo:iupacName "2-(2-Butoxyethoxy)ethyl acetate"@en ;
dbo:pubchem "31288"^^xsd:int ;
dbo:smiles "CCCCOCCOCCOC(=O)C" ;
dbp:inchikey "InChIKey=VXQBJTKSVGFQOL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "22C4oxC2ox02" ;
skos:prefLabel "2-(2-butoxyethoxy)ethylacetaat"@nl .
csc:MTVNAPYHLASOSX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:606997 ;
dbo:casNumber "19814-75-6" ;
dbo:formula "C15H14O" ;
dbo:inchi "InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3" ;
dbo:iupacName "9,9-Dimethylxanthene"@en ;
dbo:pubchem "606997"^^xsd:int ;
dbo:smiles "CC1(C2=CC=CC=C2OC3=CC=CC=C31)C" ;
dbp:inchikey "InChIKey=MTVNAPYHLASOSX-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000200 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "99DC1yxtn" ;
skos:prefLabel "9,9-dimethylxantheen"@nl .
csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art)"@nl , "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:996 ;
dbo:casNumber "27073-41-2" , "63496-48-0" , "73607-76-8" , "61788-41-8" , "108-95-2" , "1336-35-2" , "50356-25-7" , "14534-23-7" , "8002-07-1" ;
dbo:formula "C6H6O" ;
dbo:inchi "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H" ;
dbo:iupacName "PHENOL"@en ;
dbo:pubchem "996"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=ISWSIDIOOBJBQZ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_III_005 ;
skos:broader csc:CHEMONTID_0004647 ;
skos:exactMatch wise:CAS_108-95-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Fol" ;
skos:prefLabel "fenol"@nl ;
vcs:vmmParameterId "569"^^xsd:int .
csc:WSPOMRSOLSGNFJ-AUWJEWJLSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:667467 ;
dbo:casNumber "113-59-7" ;
dbo:formula "C18H18ClNS" ;
dbo:inchi "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-" ;
dbo:iupacName "(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine"@en ;
dbo:pubchem "667467"^^xsd:int ;
dbo:smiles "CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl" ;
dbp:inchikey "InChIKey=WSPOMRSOLSGNFJ-AUWJEWJLSA-N" ;
skos:broader csc:CHEMONTID_0000199 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clptxne" ;
skos:prefLabel "chloorprothixene"@nl .
csc:ZAGRQXMWMRUYRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:63079 ;
dbo:casNumber "74472-44-9" , "41411-62-5" ;
dbo:formula "C12H4Cl6" ;
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene"@en ;
dbo:pubchem "63079"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=ZAGRQXMWMRUYRB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB160" ;
skos:prefLabel "2,3,3',4,5,6-hexachloorbifenyl"@nl .
csc:QNBTYORWCCMPQP-JXAWBTAJSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5463781 ;
dbo:casNumber "110488-70-5" ;
dbo:formula "C21H22ClNO4" ;
dbo:inchi "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-" ;
dbo:iupacName "(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one"@en ;
dbo:pubchem "5463781"^^xsd:int ;
dbo:smiles "COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC" ;
dbp:inchikey "InChIKey=QNBTYORWCCMPQP-JXAWBTAJSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:exactMatch wise:CAS_110488-70-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dmtmf" ;
skos:prefLabel "dimethomorf"@nl ;
vcs:vmmParameterId "1232"^^xsd:int .
csc:JTPNRXUCIXHOKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:7003 ;
dbo:casNumber "90-13-1" ;
dbo:formula "C10H7Cl" ;
dbo:inchi "InChI=1S/C10H7Cl/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H" ;
dbo:iupacName "1-Chloronaphthalene"@en ;
dbo:pubchem "7003"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2Cl" ;
dbp:inchikey "InChIKey=JTPNRXUCIXHOKM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004794 ;
skos:exactMatch wise:CAS_90-13-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1ClNaf" ;
skos:prefLabel "1-chloornaftaleen"@nl ;
vcs:vmmParameterId "334"^^xsd:int .
csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:122499 ;
dbo:casNumber "29878-31-7" , "29385-43-1" ;
dbo:formula "C7H7N3" ;
dbo:inchi "InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)" ;
dbo:iupacName "4-methyl-2H-benzotriazole"@en ;
dbo:pubchem "122499"^^xsd:int ;
dbo:smiles "CC1=CC=CC2=NNN=C12" ;
dbp:inchikey "InChIKey=CMGDVUCDZOBDNL-UHFFFAOYSA-N" ;
skos:altLabel "4-methyl-1H-benzotriazool"@nl ;
skos:broader csc:CHEMONTID_0000315 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1y1Hbztazl" , "4C1y1Hbztazl" ;
skos:prefLabel "methyl-1H-benzotriazool"@nl .
csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:24744 ;
dbo:casNumber "13684-63-4" ;
dbo:formula "C16H16N2O4" ;
dbo:inchi "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)" ;
dbo:iupacName "[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate"@en ;
dbo:pubchem "24744"^^xsd:int ;
dbo:smiles "CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC" ;
dbp:inchikey "InChIKey=IDOWTHOLJBTAFI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004714 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenmdfm" ;
skos:prefLabel "fenmedifam"@nl .
csc:HCJLVWUMMKIQIM-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8568 ;
dbo:casNumber "131-52-2" ;
dbo:formula "C6Cl5NaO" ;
dbo:inchi "InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1" ;
dbo:iupacName "sodium 2,3,4,5,6-pentachlorophenolate"@en ;
dbo:pubchem "8568"^^xsd:int ;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]" ;
dbp:inchikey "InChIKey=HCJLVWUMMKIQIM-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0001099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NaPeClfnt" ;
skos:prefLabel "natriumpentachloorfenaat"@nl .
csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23986 ;
dbo:casNumber "7440-58-6" , "412316-00-8" ;
dbo:formula "Hf" ;
dbo:inchi "InChI=1S/Hf" ;
dbo:iupacName "HAFNIUM"@en ;
dbo:pubchem "23986"^^xsd:int ;
dbo:smiles "[Hf]" ;
dbp:inchikey "InChIKey=VBJZVLUMGGDVMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hf" ;
skos:prefLabel "hafnium"@nl .
csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:16686 ;
dbo:casNumber "2227-17-0" ;
dbo:formula "C10Cl10" ;
dbo:inchi "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18" ;
dbo:iupacName "1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene"@en ;
dbo:pubchem "16686"^^xsd:int ;
dbo:smiles "C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LWLJUMBEZJHXHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DenCl" ;
skos:prefLabel "dienochloor"@nl .
csc:MKIMSXGUTQTKJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:33112 ;
dbo:casNumber "25606-41-1" , "24579-73-5" ;
dbo:formula "C9H21ClN2O2" ;
dbo:inchi "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H" ;
dbo:iupacName "dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride"@en ;
dbo:pubchem "33112"^^xsd:int ;
dbo:smiles "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" ;
dbp:inchikey "InChIKey=MKIMSXGUTQTKJU-UHFFFAOYSA-N" ;
skos:altLabel "propamocarb"@nl ;
skos:broader csc:CHEMONTID_0002239 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propmcbHCl" , "propmcb" ;
skos:prefLabel "propamocarb hydrochloride"@nl .
csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:10686 ;
dbo:casNumber "25551-13-7" , "526-73-8" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-5-4-6-8(2)9(7)3/h4-6H,1-3H3" ;
dbo:iupacName "1,2,3-Trimethylbenzene"@en ;
dbo:pubchem "10686"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)C)C" ;
dbp:inchikey "InChIKey=FYGHSUNMUKGBRK-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_000 , co:LUC_IV_001 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TC1yBen" ;
skos:prefLabel "1,2,3-trimethylbenzeen"@nl .
csc:GUTLYIVDDKVIGB-YPZZEJLDSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:104851 ;
dbo:casNumber "13981-50-5" ;
dbo:formula "Co" ;
dbo:inchi "InChI=1S/Co/i1-2" ;
dbo:iupacName "cobalt-57"@en ;
dbo:pubchem "104851"^^xsd:int ;
dbo:smiles "[Co]" ;
dbp:inchikey "InChIKey=GUTLYIVDDKVIGB-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Co57" ;
skos:prefLabel "kobalt 57"@nl .
csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II Art. 5.7.14.1"@nl , "VLAREM II bijlage 4.4.2 'zwavelkoolstof'"@nl ;
rdfs:seeAlso compound:6348 ;
dbo:casNumber "355120-85-3" , "75-15-0" , "12539-80-9" ;
dbo:formula "CS2" ;
dbo:inchi "InChI=1S/CS2/c2-1-3" ;
dbo:iupacName "methanedithione"@en ;
dbo:pubchem "6348"^^xsd:int ;
dbo:smiles "C(=S)=S" ;
dbp:inchikey "InChIKey=QGJOPFRUJISHPQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000555 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CS2" ;
skos:prefLabel "koolstofdisulfide"@nl .
csc:NTJOBXMMWNYJFB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:2159 ;
dbo:casNumber "71675-85-9" ;
dbo:formula "C17H27N3O4S" ;
dbo:inchi "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)" ;
dbo:iupacName "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide"@en ;
dbo:pubchem "2159"^^xsd:int ;
dbo:smiles "CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC" ;
dbp:inchikey "InChIKey=NTJOBXMMWNYJFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001917 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "amspde" ;
skos:prefLabel "amisulpride"@nl .
csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:5787 ;
dbo:casNumber "50-84-0" ;
dbo:formula "C7H4Cl2O2" ;
dbo:inchi "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)" ;
dbo:iupacName "2,4-Dichlorobenzoic acid"@en ;
dbo:pubchem "5787"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C(=O)O" ;
dbp:inchikey "InChIKey=ATCRIUVQKHMXSH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002611 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClbenzzr" ;
skos:prefLabel "2,4-dichloorbenzoezuur"@nl .
csc:TZIZWYVVGLXXFV-FLRHRWPCSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:21826 ;
dbo:casNumber "5611-51-8" ;
dbo:formula "C30H41FO7" ;
dbo:inchi "InChI=1S/C30H41FO7/c1-25(2,3)15-24(35)36-16-22(34)30-23(37-26(4,5)38-30)13-20-19-9-8-17-12-18(32)10-11-27(17,6)29(19,31)21(33)14-28(20,30)7/h10-12,19-21,23,33H,8-9,13-16H2,1-7H3/t19-,20-,21-,23+,27-,28-,29-,30+/m0/s1" ;
dbo:iupacName "[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate"@en ;
dbo:pubchem "21826"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)COC(=O)CC(C)(C)C)C)O)F)C)C" ;
dbp:inchikey "InChIKey=TZIZWYVVGLXXFV-FLRHRWPCSA-N" ;
skos:broader csc:CHEMONTID_0001468 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TacnlnHxactn" ;
skos:prefLabel "triamcinolonehexacetonide"@nl .
csc:LAHWLEDBADHJGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37807 ;
dbo:casNumber "37680-73-2" ;
dbo:formula "C12H5Cl5" ;
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H" ;
dbo:iupacName "1,2,4-trichloro-5-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "37807"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LAHWLEDBADHJGA-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',4,5,5'-pentachloorbifenyl"@nl , "pcb 101"@nl , "PCB-101"@nl , "2,2',4,5,5'-pentachloorbifenyl (pcb101)"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_37680-73-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB101" ;
skos:prefLabel "pcb-101"@nl ;
vcs:vmmParameterId "440"^^xsd:int , "1412"^^xsd:int .
csc:HECLRDQVFMWTQS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6492 ;
dbo:casNumber "107760-16-7" , "45737-84-6" , "151065-56-4" , "1755-01-7" , "77-73-6" , "60328-38-3" , "54335-17-0" , "25038-78-2" ;
dbo:formula "C10H12" ;
dbo:inchi "InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2" ;
dbo:iupacName "tricyclo[5.2.1.02,6]deca-3,8-diene"@en ;
dbo:pubchem "6492"^^xsd:int ;
dbo:smiles "C1C=CC2C1C3CC2C=C3" ;
dbp:inchikey "InChIKey=HECLRDQVFMWTQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004149 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DccPeDen" ;
skos:prefLabel "dicyclopentadieen"@nl .
csc:PPBRXRYQALVLMV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2"@nl ;
rdfs:seeAlso compound:7501 ;
dbo:casNumber "68987-41-7" , "100-42-5" , "68441-35-0" , "12770-88-6" , "9003-53-6" , "79637-11-9" ;
dbo:formula "C8H8" ;
dbo:inchi "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2" ;
dbo:iupacName "Ethenylbenzene"@en ;
dbo:pubchem "7501"^^xsd:int ;
dbo:smiles "C=CC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=PPBRXRYQALVLMV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_011 , co:LUC_IV_001 , co:LUC_IV_000 ;
skos:altLabel "polystyreen"@nl ;
skos:broader csc:CHEMONTID_0000037 ;
skos:exactMatch wise:CAS_100-42-5 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "polstyrn" , "styrn" ;
skos:prefLabel "styreen"@nl ;
vcs:vmmParameterId "222"^^xsd:int .
csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:50465 ;
dbo:casNumber "69377-81-7" ;
dbo:formula "C7H5Cl2FN2O3" ;
dbo:inchi "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)" ;
dbo:iupacName "2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid"@en ;
dbo:pubchem "50465"^^xsd:int ;
dbo:smiles "C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F" ;
dbp:inchikey "InChIKey=MEFQWPUMEMWTJP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003971 ;
skos:exactMatch wise:CAS_69377-81-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flurOxpr" ;
skos:prefLabel "fluroxypyr"@nl ;
vcs:vmmParameterId "1003"^^xsd:int .
csc:CFRPSFYHXJZSBI-DHZHZOJOSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3034287 ;
dbo:casNumber "150824-47-8" ;
dbo:formula "C11H15ClN4O2" ;
dbo:inchi "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+" ;
dbo:iupacName "[\"(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\", \"N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\"]"@en ;
dbo:pubchem "3034287"^^xsd:int ;
dbo:smiles "CCN(CC1=CN=C(C=C1)Cl)C(=C[N+](=O)[O-])NC" ;
dbp:inchikey "InChIKey=CFRPSFYHXJZSBI-DHZHZOJOSA-N" ;
skos:altLabel "e-nitenpyram"@nl ;
skos:broader csc:CHEMONTID_0004532 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "E-nitprm" ;
skos:prefLabel "E-nitenpyram"@nl .
csc:GRSQYISVQKPZCW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11733 ;
dbo:casNumber "598-77-6" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c1-2(4)3(5)6/h2-3H,1H3" ;
dbo:iupacName "1,1,2-TRICHLOROPROPANE"@en ;
dbo:pubchem "11733"^^xsd:int ;
dbo:smiles "CC(C(Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=GRSQYISVQKPZCW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "112TClC3a" ;
skos:prefLabel "1,1,2-trichloorpropaan"@nl .
csc:PFEOZHBOMNWTJB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7282 ;
dbo:casNumber "96-14-0" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3" ;
dbo:iupacName "3-Methylpentane"@en ;
dbo:pubchem "7282"^^xsd:int ;
dbo:smiles "CCC(C)CC" ;
dbp:inchikey "InChIKey=PFEOZHBOMNWTJB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC5a" ;
skos:prefLabel "3-methylpentaan"@nl .
csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:comment "VLAR III (D3) 'Vanadium en vanadiumverbindingen, uitgedrukt in vanadium (V)'"@nl , "VLAR II bijl. 4.4.2 'vanadium en zijn verbindingen, uitgedrukt in V'"@nl , "VLAR II D5 'vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)' of 'vanadium'"@nl , "VLAR III (D3, diverse art) 'V'"@nl , "VLAR III (D3) 'vanadium'"@nl ;
rdfs:seeAlso compound:23990 ;
dbo:casNumber "7440-62-2" , "22537-31-1" , "14782-33-3" , "22541-77-1" , "24763-58-4" , "195161-77-4" ;
dbo:formula "V" ;
dbo:inchi "InChI=1S/V" ;
dbo:iupacName "Vanadium"@en ;
dbo:pubchem "23990"^^xsd:int ;
dbo:smiles "[V]" ;
dbp:inchikey "InChIKey=LEONUFNNVUYDNQ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_I_002 , co:LUC_III_010 ;
skos:altLabel "vanadium (v)"@nl , "Vanadium (V)"@nl , "vanadium, opgelost"@nl ;
skos:broader csc:CHEMONTID_0000426 ;
skos:definition "vanadium en vanadiumverbindingen, uitgedrukt als vanadium (V)"@nl ;
skos:exactMatch wise:CAS_7440-62-2 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "V" ;
skos:prefLabel "vanadium"@nl ;
vcs:vmmParameterId "197"^^xsd:int , "198"^^xsd:int , "1979"^^xsd:int , "199"^^xsd:int .
csc:FIADGNVRKBPQEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:27400 ;
dbo:casNumber "15574-96-6" ;
dbo:formula "C19H21NS" ;
dbo:inchi "InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3" ;
dbo:iupacName "1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidine"@en ;
dbo:pubchem "27400"^^xsd:int ;
dbo:smiles "CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1" ;
dbp:inchikey "InChIKey=FIADGNVRKBPQEU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002338 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "piztfn" ;
skos:prefLabel "pizotifen"@nl .
csc:ITKAIUGKVKDENI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6451139 ;
dbo:casNumber "105779-78-0" ;
dbo:formula "C20H28ClN3O2" ;
dbo:inchi "InChI=1S/C20H28ClN3O2/c1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)" ;
dbo:iupacName "5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine"@en ;
dbo:pubchem "6451139"^^xsd:int ;
dbo:smiles "CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl" ;
dbp:inchikey "InChIKey=ITKAIUGKVKDENI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pyrmdfn" ;
skos:prefLabel "pyrimidifen"@nl .
csc:MYPKGPZHHQEODQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31899 ;
dbo:casNumber "23422-53-9" , "18413-17-7" , "22259-30-9" , "26445-73-8" ;
dbo:formula "C11H16ClN3O2" ;
dbo:inchi "InChI=1S/C11H15N3O2.ClH/c1-12-11(15)16-10-6-4-5-9(7-10)13-8-14(2)3;/h4-8H,1-3H3,(H,12,15);1H" ;
dbo:iupacName "[3-(dimethylaminomethylideneamino)phenyl] N-methylcarbamate hydrochloride"@en ;
dbo:pubchem "31899"^^xsd:int ;
dbo:smiles "CNC(=O)OC1=CC=CC(=C1)N=CN(C)C.Cl" ;
dbp:inchikey "InChIKey=MYPKGPZHHQEODQ-UHFFFAOYSA-N" ;
skos:altLabel "formetanaat"@nl ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "formtnHCl" , "formtnt" ;
skos:prefLabel "formetanaat-hydrochloride"@nl .
csc:DMYHGDXADUDKCQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:86356 ;
dbo:casNumber "120928-09-8" ;
dbo:formula "C20H22N2O" ;
dbo:inchi "InChI=1S/C20H22N2O/c1-20(2,3)16-10-8-15(9-11-16)12-13-23-19-17-6-4-5-7-18(17)21-14-22-19/h4-11,14H,12-13H2,1-3H3" ;
dbo:iupacName "4-[2-(4-tert-butylphenyl)ethoxy]quinazoline"@en ;
dbo:pubchem "86356"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)CCOC2=NC=NC3=CC=CC=C32" ;
dbp:inchikey "InChIKey=DMYHGDXADUDKCQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000485 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fenzqn" ;
skos:prefLabel "fenazaquin"@nl .
csc:OLBCVFGFOZPWHH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:4943 ;
dbo:casNumber "2078-54-8" , "28449-97-0" , "50356-15-5" ;
dbo:formula "C12H18O" ;
dbo:inchi "InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3" ;
dbo:iupacName "2,6-di(propan-2-yl)phenol"@en ;
dbo:pubchem "4943"^^xsd:int ;
dbo:smiles "CC(C)C1=C(C(=CC=C1)C(C)C)O" ;
dbp:inchikey "InChIKey=OLBCVFGFOZPWHH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000355 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "propfl" ;
skos:prefLabel "propofol"@nl .
csc:FYQGBXGJFWXIPP-UEVLXMDPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5372477 ;
dbo:casNumber "41205-09-8" , "36557-30-9" , "36804-82-7" , "38473-62-0" , "41096-46-2" ;
dbo:formula "C17H30O2" ;
dbo:inchi "InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+" ;
dbo:iupacName "['ethyl (2E,4E)-3,7,11-trimethyldodeca-2,4-dienoate', 'Ethyl 3,7,11-trimethyldodeca-2,4-dienoate']"@en ;
dbo:pubchem "5372477"^^xsd:int ;
dbo:smiles "CCOC(=O)C=C(C)C=CCC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=FYQGBXGJFWXIPP-UEVLXMDPSA-N" ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Hpn" ;
skos:prefLabel "hydropreen"@nl .
csc:OWXJKYNZGFSVRC-IHWYPQMZSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5326315 ;
dbo:casNumber "590-21-6" , "16136-84-8" ;
dbo:formula "C3H5Cl" ;
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2-" ;
dbo:iupacName "(Z)-1-chloroprop-1-ene"@en ;
dbo:pubchem "5326315"^^xsd:int ;
dbo:smiles "CC=CCl" ;
dbp:inchikey "InChIKey=OWXJKYNZGFSVRC-IHWYPQMZSA-N" ;
skos:broader csc:CHEMONTID_0002863 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "c1Cl1C3e" ;
skos:prefLabel "cis-1-chloor-1-propeen"@nl .
csc:RUELTTOHQODFPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7040 ;
dbo:casNumber "137091-34-0" , "91-08-7" , "9017-01-0" , "168753-74-0" , "110839-12-8" ;
dbo:formula "C9H6N2O2" ;
dbo:inchi "InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3" ;
dbo:iupacName "1,3-Diisocyanato-2-methylbenzene"@en ;
dbo:pubchem "7040"^^xsd:int ;
dbo:smiles "CC1=C(C=CC=C1N=C=O)N=C=O" ;
dbp:inchikey "InChIKey=RUELTTOHQODFPA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003983 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26TolDiCN" ;
skos:prefLabel "2,6-tolueendiisocyanaat"@nl .
csc:QQCFBZCATDIWTH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:135290 ;
dbo:casNumber "68011-67-6" ;
dbo:formula "C15H12N2O2" ;
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-7-8-12(18)9-14(11)17/h1-9,18H,(H2,16,19)" ;
dbo:iupacName "9-hydroxybenzo[b][1]benzazepine-11-carboxamide"@en ;
dbo:pubchem "135290"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=C(C=C3)O" ;
dbp:inchikey "InChIKey=QQCFBZCATDIWTH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000320 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3HOxcbmzpne" ;
skos:prefLabel "3-hydroxy carbamazepine"@nl .
csc:JNCSIWAONQTVCF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:9183 ;
dbo:casNumber "226-36-8" ;
dbo:formula "C21H13N" ;
dbo:inchi "InChI=1S/C21H13N/c1-3-7-17-14(5-1)11-12-20-19(17)13-16-10-9-15-6-2-4-8-18(15)21(16)22-20/h1-13H" ;
dbo:iupacName "2-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9183"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=CC=CC=C5C4=N3" ;
dbp:inchikey "InChIKey=JNCSIWAONQTVCF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003017 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dbenzahacdne" ;
skos:prefLabel "dibenz(a,h)acridine"@nl .
csc:DIOZMSACJPTBST-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:86133 ;
dbo:casNumber "113136-77-9" ;
dbo:formula "C11H9Cl2NO3" ;
dbo:inchi "InChI=1S/C11H9Cl2NO3/c12-5-1-2-9(8(13)3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)" ;
dbo:iupacName "2-[(2,4-dichlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid"@en ;
dbo:pubchem "86133"^^xsd:int ;
dbo:smiles "C1C(C1C(=O)O)C(=O)NC2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=DIOZMSACJPTBST-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000285 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycnlde" ;
skos:prefLabel "cyclanilide"@nl .
csc:FIGVVZUWCLSUEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12534 ;
dbo:casNumber "638-67-5" ;
dbo:formula "C23H48" ;
dbo:inchi "InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3" ;
dbo:iupacName "Tricosane"@en ;
dbo:pubchem "12534"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=FIGVVZUWCLSUEI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002500 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C23a" ;
skos:prefLabel "tricosaan"@nl .
csc:HFDOVSPQVPECFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154509 ;
dbo:casNumber "97038-95-4" ;
dbo:formula "C12H6Br4" ;
dbo:inchi "InChI=1S/C12H6Br4/c13-7-4-5-8(11(16)6-7)12-9(14)2-1-3-10(12)15/h1-6H" ;
dbo:iupacName "2,4-dibromo-1-(2,6-dibromophenyl)benzene"@en ;
dbo:pubchem "154509"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1)Br)C2=C(C=C(C=C2)Br)Br)Br" ;
dbp:inchikey "InChIKey=HFDOVSPQVPECFP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003954 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PBDE51" ;
skos:prefLabel "2,2',4,6'-tetrabroomdifenylether"@nl .
csc:JCYPECIVGRXBMO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6053 ;
dbo:casNumber "60-11-7" , "55964-95-9" , "77126-00-2" ;
dbo:formula "C14H15N3" ;
dbo:inchi "InChI=1S/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3" ;
dbo:iupacName "N,N-dimethyl-4-phenyldiazenylaniline"@en ;
dbo:pubchem "6053"^^xsd:int ;
dbo:smiles "CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=C2" ;
dbp:inchikey "InChIKey=JCYPECIVGRXBMO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003370 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4DC1yAoazBen" ;
skos:prefLabel "4-dimethylaminoazobenzeen"@nl .
csc:OHSVLFRHMCKCQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23929 ;
dbo:casNumber "7439-94-3" , "110123-46-1" ;
dbo:formula "Lu" ;
dbo:inchi "InChI=1S/Lu" ;
dbo:iupacName "LUTETIUM"@en ;
dbo:pubchem "23929"^^xsd:int ;
dbo:smiles "[Lu]" ;
dbp:inchikey "InChIKey=OHSVLFRHMCKCQY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000429 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Lu" ;
skos:prefLabel "lutetium"@nl .
csc:OKHQKAVALRCESS-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:80119 ;
dbo:casNumber "6022-22-6" ;
dbo:formula "C28H14N2Na2O10S2" ;
dbo:inchi "InChI=1S/C28H16N2O10S2.2Na/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34;;/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2" ;
dbo:iupacName "disodium 1-amino-4-(4-amino-9,10-dioxo-3-sulfonatoanthracen-1-yl)-9,10-dioxoanthracene-2-sulfonate"@en ;
dbo:pubchem "80119"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3C4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]" ;
dbp:inchikey "InChIKey=OKHQKAVALRCESS-UHFFFAOYSA-L" ;
skos:altLabel "4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,diNa-zout"@nl ;
skos:broader csc:CHEMONTID_0000151 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "44DAo11btcnn" ;
skos:prefLabel "4,4'-diamino-1,1'-bianthrachinon-3,3'-disulfonzuur,dina-zout"@nl .
csc:NOOOMJZHMKSKBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:140995 ;
dbo:casNumber "23069-99-0" ;
dbo:formula "C9H11NO" ;
dbo:inchi "InChI=1S/C9H11NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11)" ;
dbo:iupacName "N-(2-phenylethyl)formamide"@en ;
dbo:pubchem "140995"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)CCNC=O" ;
dbp:inchikey "InChIKey=NOOOMJZHMKSKBF-UHFFFAOYSA-N" ;
skos:altLabel "n-(2-fenylethyl)formamide"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N2FyC2yfAd" ;
skos:prefLabel "N-(2-fenylethyl)formamide"@nl .
csc:MPBZUKLDHPOCLS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:12068 ;
dbo:casNumber "618-87-1" ;
dbo:formula "C6H5N3O4" ;
dbo:inchi "InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2" ;
dbo:iupacName "3,5-Dinitroaniline"@en ;
dbo:pubchem "12068"^^xsd:int ;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=MPBZUKLDHPOCLS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003968 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "35DNO2An" ;
skos:prefLabel "3,5-dinitroaniline"@nl .
csc:MIWRSUQXSCLDNV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37028 ;
dbo:casNumber "35045-02-4" ;
dbo:formula "C8H13N3OS" ;
dbo:inchi "InChI=1S/C8H13N3OS/c1-8(2,3)5-6(12)9-7(13-4)11-10-5/h1-4H3,(H,9,11,12)" ;
dbo:iupacName "6-tert-butyl-3-methylsulfanyl-2H-1,2,4-triazin-5-one"@en ;
dbo:pubchem "37028"^^xsd:int ;
dbo:smiles "CC(C)(C)C1=NNC(=NC1=O)SC" ;
dbp:inchikey "InChIKey=MIWRSUQXSCLDNV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metbzdAo" ;
skos:prefLabel "metribuzin-desamino"@nl .
csc:IZHZFAQWVKBTSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:62060 ;
dbo:casNumber "7378-10-1" , "53494-70-5" ;
dbo:formula "C12H8Cl6O" ;
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)6-2-1-3(7(6)19)4-5(2)11(9,16)12(17,18)10(4,8)15/h2-6,8H,1H2" ;
dbo:iupacName "1,2,2,3,10,11-hexachloropentacyclo[5.4.1.03,10.04,12.05,9]dodecan-8-one"@en ;
dbo:pubchem "62060"^^xsd:int ;
dbo:smiles "C1C2C3C4C1C(=O)C2C5(C3(C(C4(C5Cl)Cl)(Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=IZHZFAQWVKBTSL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001549 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "endrin keton"@nl .
csc:JWSRMCCRAJUMLX-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8529 ;
dbo:casNumber "14047-61-1" , "130-13-2" ;
dbo:formula "C10H8NNaO3S" ;
dbo:inchi "InChI=1S/C10H9NO3S.Na/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9;/h1-6H,11H2,(H,12,13,14);/q;+1/p-1" ;
dbo:iupacName "sodium 4-aminonaphthalene-1-sulfonate"@en ;
dbo:pubchem "8529"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)[O-])N.[Na+]" ;
dbp:inchikey "InChIKey=JWSRMCCRAJUMLX-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0003600 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "naftontNa" ;
skos:prefLabel "nafthionaat natriumzout"@nl .
csc:AZDIXEXNLJMBJO-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61088 ;
dbo:casNumber "138-93-2" ;
dbo:formula "C2N2Na2S2" ;
dbo:inchi "InChI=1S/C2H2N2S2.2Na/c3-1-4-2(5)6;;/h(H2,4,5,6);;/q;2*+1/p-2" ;
dbo:iupacName "disodium cyanoiminomethanedithiolate"@en ;
dbo:pubchem "61088"^^xsd:int ;
dbo:smiles "C(#N)N=C([S-])[S-].[Na+].[Na+]" ;
dbp:inchikey "InChIKey=AZDIXEXNLJMBJO-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0004099 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DNaCNDtoimdC" ;
skos:prefLabel "dinatriumcyanodithioimidocarbonaat"@nl .
csc:AEXMKKGTQYQZCS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11229 ;
dbo:casNumber "562-49-2" ;
dbo:formula "C7H16" ;
dbo:inchi "InChI=1S/C7H16/c1-5-7(3,4)6-2/h5-6H2,1-4H3" ;
dbo:iupacName "3,3-Dimethylpentane"@en ;
dbo:pubchem "11229"^^xsd:int ;
dbo:smiles "CCC(C)(C)CC" ;
dbp:inchikey "InChIKey=AEXMKKGTQYQZCS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "33DC1yC5a" ;
skos:prefLabel "3,3-dimethylpentaan"@nl .
csc:GSEJCLTVZPLZKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7618 ;
dbo:casNumber "36549-55-0" , "64114-46-1" , "36549-54-9" , "105655-27-4" , "102-71-6" , "36659-79-7" , "36549-53-8" , "20261-61-4" , "126068-67-5" ;
dbo:formula "C6H15NO3" ;
dbo:inchi "InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2" ;
dbo:iupacName "['2-(bis(2-hydroxyethynyl)amino)ethynol', '2-(bis(2-hydroxyethyl)amino)ethanol']"@en ;
dbo:pubchem "7618"^^xsd:int ;
dbo:smiles "C(CO)N(CCO)CCO" ;
dbp:inchikey "InChIKey=GSEJCLTVZPLZKY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001897 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC2olAe" ;
skos:prefLabel "triethanolamine"@nl .
csc:YKKYCYQDUUXNLN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:37804 ;
dbo:casNumber "37680-66-3" ;
dbo:formula "C12H7Cl3" ;
dbo:inchi "InChI=1S/C12H7Cl3/c13-8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7H" ;
dbo:iupacName "2,4-dichloro-1-(2-chlorophenyl)benzene"@en ;
dbo:pubchem "37804"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=C(C=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YKKYCYQDUUXNLN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB17" ;
skos:prefLabel "2,2',4-trichloorbifenyl"@nl .
csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:37248 ;
dbo:casNumber "35693-99-3" ;
dbo:formula "C12H6Cl4" ;
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H" ;
dbo:iupacName "1,4-dichloro-2-(2,5-dichlorophenyl)benzene"@en ;
dbo:pubchem "37248"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=HCWZEPKLWVAEOV-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,2',5,5'-tetrachloorbifenyl (pcb52)"@nl , "PCB-52"@nl , "pcb-52"@nl , "pcb 52"@nl ;
skos:broader csc:CHEMONTID_0003030 ;
skos:exactMatch wise:CAS_35693-99-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB52" ;
skos:prefLabel "2,2',5,5'-tetrachloorbifenyl"@nl ;
vcs:vmmParameterId "1418"^^xsd:int , "441"^^xsd:int .
csc:RRJUYQOFOMFVQS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:12464 ;
dbo:casNumber "54686-91-8" , "634-67-3" ;
dbo:formula "C6H4Cl3N" ;
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2" ;
dbo:iupacName "2,3,4-TRICHLOROANILINE"@en ;
dbo:pubchem "12464"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1N)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=RRJUYQOFOMFVQS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000284 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "234TClAn" ;
skos:prefLabel "2,3,4-trichlooraniline"@nl .
csc:LAIUFBWHERIJIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11519 ;
dbo:casNumber "116502-43-3" , "589-81-1" ;
dbo:formula "C8H18" ;
dbo:inchi "InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3" ;
dbo:iupacName "3-Methylheptane"@en ;
dbo:pubchem "11519"^^xsd:int ;
dbo:smiles "CCCCC(C)CC" ;
dbp:inchikey "InChIKey=LAIUFBWHERIJIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "3C1yC7a" ;
skos:prefLabel "3-methylheptaan"@nl .
csc:UGCNRZFAUBJVPT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6327054 ;
dbo:casNumber "13121-70-5" ;
dbo:formula "C18H35OSn" ;
dbo:inchi "InChI=1S/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;" ;
dbo:iupacName "tricyclohexyltin hydrate"@en ;
dbo:pubchem "6327054"^^xsd:int ;
dbo:smiles "C1CCC(CC1)[Sn](C2CCCCC2)C3CCCCC3.O" ;
dbp:inchikey "InChIKey=UGCNRZFAUBJVPT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003940 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyhxtn" ;
skos:prefLabel "cyhexatin"@nl .
csc:IROINLKCQGIITA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:13450 ;
dbo:casNumber "886-50-0" ;
dbo:formula "C10H19N5S" ;
dbo:inchi "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)" ;
dbo:iupacName "N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "13450"^^xsd:int ;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NC(C)(C)C" ;
dbp:inchikey "InChIKey=IROINLKCQGIITA-UHFFFAOYSA-N" ;
skos:altLabel "terbutrin"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_886-50-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "terbtn" ;
skos:prefLabel "terbutryn"@nl ;
vcs:vmmParameterId "282"^^xsd:int .
csc:GOXQRTZXKQZDDN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7636 ;
dbo:casNumber "1322-13-0" , "78733-32-1" , "93460-77-6" , "126830-03-3" , "9003-77-4" , "84948-57-2" , "126830-02-2" , "103-11-7" ;
dbo:formula "C11H20O2" ;
dbo:inchi "InChI=1S/C11H20O2/c1-4-7-8-10(5-2)9-13-11(12)6-3/h6,10H,3-5,7-9H2,1-2H3" ;
dbo:iupacName "2-ethylhexyl prop-2-enoate"@en ;
dbo:pubchem "7636"^^xsd:int ;
dbo:smiles "CCCCC(CC)COC(=O)C=C" ;
dbp:inchikey "InChIKey=GOXQRTZXKQZDDN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004452 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2C2yC6yaclt" ;
skos:prefLabel "2-ethylhexylacrylaat"@nl .
csc:HOERQTQCTISLFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:34475 ;
dbo:casNumber "29104-30-1" ;
dbo:formula "C18H18ClNO5" ;
dbo:inchi "InChI=1S/C18H18ClNO5/c1-4-20(25-18(22)12-8-6-5-7-9-12)17(21)15-14(23-2)11-10-13(19)16(15)24-3/h5-11H,4H2,1-3H3" ;
dbo:iupacName "[(3-chloro-2,6-dimethoxybenzoyl)-ethylamino] benzoate"@en ;
dbo:pubchem "34475"^^xsd:int ;
dbo:smiles "CCN(C(=O)C1=C(C=CC(=C1OC)Cl)OC)OC(=O)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=HOERQTQCTISLFR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004111 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "benzxmt" ;
skos:prefLabel "benzoximaat"@nl .
csc:QCIFLGSATTWUQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12165 ;
dbo:casNumber "623-08-5" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3" ;
dbo:iupacName "N,4-DIMETHYLANILINE"@en ;
dbo:pubchem "12165"^^xsd:int ;
dbo:smiles "CC1=CC=C(C=C1)NC" ;
dbp:inchikey "InChIKey=QCIFLGSATTWUQJ-UHFFFAOYSA-N" ;
skos:altLabel "N,4-dimethylaniline"@nl ;
skos:broader csc:CHEMONTID_0003964 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "N4DC1yAn" ;
skos:prefLabel "n,4-dimethylaniline"@nl .
csc:XJWSAJYUBXQQDR-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14249 ;
dbo:casNumber "1119-94-4" , "157929-06-1" ;
dbo:formula "C15H34BrN" ;
dbo:inchi "InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1" ;
dbo:iupacName "dodecyl-trimethylazanium bromide"@en ;
dbo:pubchem "14249"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC[N+](C)(C)C.[Br-]" ;
dbp:inchikey "InChIKey=XJWSAJYUBXQQDR-UHFFFAOYSA-M" ;
skos:altLabel "dodecyltrimethylammonium bromide"@nl ;
skos:broader csc:CHEMONTID_0004225 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12yTC1yNH4B" ;
skos:prefLabel "dodecyltrimethylammonium"@nl .
csc:PUFGCEQWYLJYNJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:17082 ;
dbo:casNumber "2432-90-8" ;
dbo:formula "C32H54O4" ;
dbo:inchi "InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3" ;
dbo:iupacName "didodecyl benzene-1,2-dicarboxylate"@en ;
dbo:pubchem "17082"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCC" ;
dbp:inchikey "InChIKey=PUFGCEQWYLJYNJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001350 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC12yFt" ;
skos:prefLabel "didodecylftalaat"@nl .
csc:QFMDFTQOJHFVNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6295 ;
dbo:casNumber "72-56-0" ;
dbo:formula "C18H20Cl2" ;
dbo:inchi "InChI=1S/C18H20Cl2/c1-3-13-5-9-15(10-6-13)17(18(19)20)16-11-7-14(4-2)8-12-16/h5-12,17-18H,3-4H2,1-2H3" ;
dbo:iupacName "1-[2,2-dichloro-1-(4-ethylphenyl)ethyl]-4-ethylbenzene"@en ;
dbo:pubchem "6295"^^xsd:int ;
dbo:smiles "CCC1=CC=C(C=C1)C(C2=CC=C(C=C2)CC)C(Cl)Cl" ;
dbp:inchikey "InChIKey=QFMDFTQOJHFVNR-UHFFFAOYSA-N" ;
skos:altLabel "perthane"@nl ;
skos:broader csc:CHEMONTID_0001550 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "pertn" ;
skos:prefLabel "perthaan"@nl .
csc:WMWTYOKRWGGJOA-ZHLGSTKJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:54580 ;
dbo:casNumber "80474-14-2" ;
dbo:formula "C25H31F3O5S" ;
dbo:inchi "InChI=1S/C25H31F3O5S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3/t13-,15+,16?,18+,19+,22+,23+,24+,25+/m1/s1" ;
dbo:iupacName "[(6S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate"@en ;
dbo:pubchem "54580"^^xsd:int ;
dbo:smiles "CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF" ;
dbp:inchikey "InChIKey=WMWTYOKRWGGJOA-ZHLGSTKJSA-N" ;
skos:broader csc:CHEMONTID_0001691 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutcsppont" ;
skos:prefLabel "fluticasonpropionaat"@nl .
csc:MWKFXSUHUHTGQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:8174 ;
dbo:casNumber "70084-71-8" , "85566-12-7" , "36729-58-5" , "118374-94-0" , "66455-17-2" , "112-30-1" ;
dbo:formula "C10H22O" ;
dbo:inchi "InChI=1S/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3" ;
dbo:iupacName "DECAN-1-OL"@en ;
dbo:pubchem "8174"^^xsd:int ;
dbo:smiles "CCCCCCCCCCO" ;
dbp:inchikey "InChIKey=MWKFXSUHUHTGQN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001334 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C10ol" ;
skos:prefLabel "1-decanol"@nl .
csc:XZWYZXLIPXDOLR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:4091 ;
dbo:casNumber "4931-70-8" , "657-24-9" ;
dbo:formula "C4H11N5" ;
dbo:inchi "InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)" ;
dbo:iupacName "3-(diaminomethylidene)-1,1-dimethylguanidine"@en ;
dbo:pubchem "4091"^^xsd:int ;
dbo:smiles "CN(C)C(=N)N=C(N)N" ;
dbp:inchikey "InChIKey=XZWYZXLIPXDOLR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000474 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metfmne" ;
skos:prefLabel "metformine"@nl .
csc:KEMQGTRYUADPNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10465 ;
dbo:casNumber "39390-60-8" , "8034-56-8" , "8034-58-0" , "52051-63-5" , "1338-46-1" , "8043-36-5" , "506-12-7" , "68424-37-3" , "28829-31-4" , "45237-52-3" , "8000-11-1" , "176435-16-8" , "67701-03-5" , "63399-94-0" , "7722-21-6" , "37231-04-2" , "67255-22-5" , "45237-51-2" , "8034-57-9" ;
dbo:formula "C17H34O2" ;
dbo:inchi "InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)" ;
dbo:iupacName "Heptadecanoic acid"@en ;
dbo:pubchem "10465"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=KEMQGTRYUADPNZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002949 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C17azr" ;
skos:prefLabel "heptadecaanzuur"@nl .
csc:STNJBCKSHOAVAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6562 ;
dbo:casNumber "78-85-3" ;
dbo:formula "C4H6O" ;
dbo:inchi "InChI=1S/C4H6O/c1-4(2)3-5/h3H,1H2,2H3" ;
dbo:iupacName "2-methylprop-2-enal"@en ;
dbo:pubchem "6562"^^xsd:int ;
dbo:smiles "CC(=C)C=O" ;
dbp:inchikey "InChIKey=STNJBCKSHOAVAJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002436 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Cy12C3eal" ;
skos:prefLabel "2-methyl-2 propenal"@nl .
csc:SGNXVBOIDPPRJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:431734 ;
dbo:casNumber "64285-06-9" ;
dbo:formula "C10H15NO" ;
dbo:inchi "InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3" ;
dbo:iupacName "1-(9-azabicyclo[4.2.1]non-4-en-5-yl)ethanone"@en ;
dbo:pubchem "431734"^^xsd:int ;
dbo:smiles "CC(=O)C1=CCCC2CCC1N2" ;
dbp:inchikey "InChIKey=SGNXVBOIDPPRJJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001465 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "antxna" ;
skos:prefLabel "anatoxine-a"@nl .
csc:QPUYECUOLPXSFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:7002 ;
dbo:casNumber "90-12-0" , "1321-94-4" , "78900-94-4" ;
dbo:formula "C11H10" ;
dbo:inchi "InChI=1S/C11H10/c1-9-5-4-7-10-6-2-3-8-11(9)10/h2-8H,1H3" ;
dbo:iupacName "1-Methylnaphthalene"@en ;
dbo:pubchem "7002"^^xsd:int ;
dbo:smiles "CC1=CC=CC2=CC=CC=C12" ;
dbp:inchikey "InChIKey=QPUYECUOLPXSFR-UHFFFAOYSA-N" ;
skos:altLabel "methylnaftaleen"@nl ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C1yNaf" , "C1yNaf" ;
skos:prefLabel "1-methylnaftaleen"@nl .
csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:91590 ;
dbo:casNumber "28159-98-0" ;
dbo:formula "C11H19N5S" ;
dbo:inchi "InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)" ;
dbo:iupacName "N-tert-butyl-N'-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en ;
dbo:pubchem "91590"^^xsd:int ;
dbo:smiles "CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)SC" ;
dbp:inchikey "InChIKey=HDHLIWCXDDZUFH-UHFFFAOYSA-N" ;
skos:altLabel "cybutryne"@nl , "cybutrine"@nl ;
skos:broader csc:CHEMONTID_0004735 ;
skos:exactMatch wise:CAS_28159-98-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "irgrl" ;
skos:prefLabel "irgarol"@nl ;
vcs:vmmParameterId "1506"^^xsd:int .
csc:CVZDIUZSWUDGOP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:147017 ;
dbo:casNumber "26542-23-4" ;
dbo:formula "C4H3Cl2NOS" ;
dbo:inchi "InChI=1S/C4H3Cl2NOS/c1-7-4(8)2(5)3(6)9-7/h1H3" ;
dbo:iupacName "4,5-dichloro-2-methyl-1,2-thiazol-3-one"@en ;
dbo:pubchem "147017"^^xsd:int ;
dbo:smiles "CN1C(=O)C(=C(S1)Cl)Cl" ;
dbp:inchikey "InChIKey=CVZDIUZSWUDGOP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "45DCl2C1y4it" ;
skos:prefLabel "4,5-dichloor-2-methyl-4-isothiazoline-3-on"@nl .
csc:HPYNZHMRTTWQTB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11420 ;
dbo:casNumber "27175-64-0" , "583-61-9" ;
dbo:formula "C7H9N" ;
dbo:inchi "InChI=1S/C7H9N/c1-6-4-3-5-8-7(6)2/h3-5H,1-2H3" ;
dbo:iupacName "2,3-Dimethylpyridine"@en ;
dbo:pubchem "11420"^^xsd:int ;
dbo:smiles "CC1=C(N=CC=C1)C" ;
dbp:inchikey "InChIKey=HPYNZHMRTTWQTB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004152 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yprdne" ;
skos:prefLabel "2,3-dimethylpyridine"@nl .
csc:YKSNLCVSTHTHJA-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25553 ;
dbo:casNumber "301-03-1" , "12427-38-2" , "11004-49-2" , "28355-56-8" , "12125-33-6" , "20316-06-7" ;
dbo:formula "C4H6MnN2S4" ;
dbo:inchi "InChI=1S/C4H8N2S4.Mn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2" ;
dbo:iupacName "manganese(+2) cation; [2-(sulfidocarbothioylamino)ethylamino]methanedithioate"@en ;
dbo:pubchem "25553"^^xsd:int ;
dbo:smiles "C(CN=C(S)[S-])N=C(S)[S-].[Mn+2]" ;
dbp:inchikey "InChIKey=YKSNLCVSTHTHJA-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0004177 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "manb" ;
skos:prefLabel "maneb"@nl .
csc:WVYWICLMDOOCFB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7910 ;
dbo:casNumber "40747-85-1" , "108-11-2" , "72847-31-5" , "20281-88-3" ;
dbo:formula "C6H14O" ;
dbo:inchi "InChI=1S/C6H14O/c1-5(2)4-6(3)7/h5-7H,4H2,1-3H3" ;
dbo:iupacName "4-Methylpentan-2-ol"@en ;
dbo:pubchem "7910"^^xsd:int ;
dbo:smiles "CC(C)CC(C)O" ;
dbp:inchikey "InChIKey=WVYWICLMDOOCFB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C1y2C5ol" ;
skos:prefLabel "4-methyl-2-pentanol"@nl .
csc:LUBCGHUOCJOIJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61105 ;
dbo:casNumber "354-14-3" , "134237-32-4" ;
dbo:formula "C2HCl4F" ;
dbo:inchi "InChI=1S/C2HCl4F/c3-1(4)2(5,6)7/h1H" ;
dbo:iupacName "1,1,2,2-Tetrachloro-1-fluoroethane"@en ;
dbo:pubchem "61105"^^xsd:int ;
dbo:smiles "C(C(F)(Cl)Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=LUBCGHUOCJOIJA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "HCFK121" ;
skos:prefLabel "1,1,2,2-tetrachloor-1-fluorethaan"@nl .
csc:FOLPKOWCPVGUCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:25982 ;
dbo:casNumber "13429-07-7" , "1321-21-7" ;
dbo:formula "C7H16O3" ;
dbo:inchi "InChI=1S/C7H16O3/c1-6(8)4-10-5-7(2)9-3/h6-8H,4-5H2,1-3H3" ;
dbo:iupacName "1-(2-Methoxypropoxy)propan-2-ol"@en ;
dbo:pubchem "25982"^^xsd:int ;
dbo:smiles "CC(COCC(C)OC)O" ;
dbp:inchikey "InChIKey=FOLPKOWCPVGUCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001661 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12C1oxC3ox2C" ;
skos:prefLabel "1-(2-methoxypropoxy)-2-propanol"@nl .
csc:MBGGFXOXUIDRJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:31233 ;
dbo:casNumber "122-94-1" ;
dbo:formula "C10H14O2" ;
dbo:inchi "InChI=1S/C10H14O2/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7,11H,2-3,8H2,1H3" ;
dbo:iupacName "4-Butoxyphenol"@en ;
dbo:pubchem "31233"^^xsd:int ;
dbo:smiles "CCCCOC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=MBGGFXOXUIDRJD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004628 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C4oxFol" ;
skos:prefLabel "4-butoxyfenol"@nl .
csc:PZIMIYVOZBTARW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6828 ;
dbo:casNumber "85-98-3" ;
dbo:formula "C17H20N2O" ;
dbo:inchi "InChI=1S/C17H20N2O/c1-3-18(15-11-7-5-8-12-15)17(20)19(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3" ;
dbo:iupacName "1,3-diethyl-1,3-di(phenyl)urea"@en ;
dbo:pubchem "6828"^^xsd:int ;
dbo:smiles "CCN(C1=CC=CC=C1)C(=O)N(CC)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=PZIMIYVOZBTARW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001935 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "13DC2y13Dfyu" ;
skos:prefLabel "1,3-diethyl-1,3-difenylureum"@nl .
csc:NTDQQZYCCIDJRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:15730 ;
dbo:casNumber "1806-26-4" , "71902-25-5" ;
dbo:formula "C14H22O" ;
dbo:inchi "InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3" ;
dbo:iupacName "4-OCTYLPHENOL"@en ;
dbo:pubchem "15730"^^xsd:int ;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)O" ;
dbp:inchikey "InChIKey=NTDQQZYCCIDJRK-UHFFFAOYSA-N" ;
skos:altLabel "octylfenol"@nl ;
skos:broader csc:CHEMONTID_0004646 ;
skos:exactMatch wise:CAS_1806-26-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4C8yFol" ;
skos:prefLabel "4-n-octylfenol"@nl ;
vcs:vmmParameterId "827"^^xsd:int .
csc:LFZGYTBWUHCAKF-DCNJEFSFSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:71476 ;
dbo:casNumber "154-21-2" , "7179-49-9" ;
dbo:formula "C18H37ClN2O7S" ;
dbo:inchi "InChI=1S/C18H34N2O6S.ClH.H2O/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H;1H2/t9-,10-,11+,12-,13+,14-,15-,16-,18-;;/m1../s1" ;
dbo:iupacName "(2S,4R)-N-[(1R,2R)-2-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide hydrate hydrochloride"@en ;
dbo:pubchem "71476"^^xsd:int ;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O.O.Cl" ;
dbp:inchikey "InChIKey=LFZGYTBWUHCAKF-DCNJEFSFSA-N" ;
skos:broader csc:CHEMONTID_0004322 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lincmcne" ;
skos:prefLabel "lincomycine"@nl .
csc:GUVRBAGPIYLISA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:23956 ;
dbo:casNumber "7440-25-7" ;
dbo:formula "Ta" ;
dbo:inchi "InChI=1S/Ta" ;
dbo:iupacName "TANTALUM"@en ;
dbo:pubchem "23956"^^xsd:int ;
dbo:smiles "[Ta]" ;
dbp:inchikey "InChIKey=GUVRBAGPIYLISA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ta" ;
skos:prefLabel "tantalium"@nl .
csc:YASAKCUCGLMORW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:77999 ;
dbo:casNumber "122320-73-4" ;
dbo:formula "C18H19N3O3S" ;
dbo:inchi "InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)" ;
dbo:iupacName "5-[[4-[2-(methyl-pyridin-2-ylamino)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione"@en ;
dbo:pubchem "77999"^^xsd:int ;
dbo:smiles "CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3" ;
dbp:inchikey "InChIKey=YASAKCUCGLMORW-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002341 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "rosgtzn" ;
skos:prefLabel "rosiglitazon"@nl .
csc:GTDQGKWDWVUKTI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:11086 ;
dbo:casNumber "551-93-9" , "27941-88-4" ;
dbo:formula "C8H9NO" ;
dbo:inchi "InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3" ;
dbo:iupacName "1-(2-aminophenyl)ethanone"@en ;
dbo:pubchem "11086"^^xsd:int ;
dbo:smiles "CC(=O)C1=CC=CC=C1N" ;
dbp:inchikey "InChIKey=GTDQGKWDWVUKTI-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004298 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "2Aoactfnn" ;
skos:prefLabel "2-aminoacetofenon"@nl .
csc:RJBJMKAMQIOAML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16589 ;
dbo:casNumber "2179-25-1" ;
dbo:formula "C11H15NO4S" ;
dbo:inchi "InChI=1S/C11H15NO4S/c1-7-5-9(16-11(13)12-3)6-8(2)10(7)17(4,14)15/h5-6H,1-4H3,(H,12,13)" ;
dbo:iupacName "(3,5-dimethyl-4-methylsulfonylphenyl) N-methylcarbamate"@en ;
dbo:pubchem "16589"^^xsd:int ;
dbo:smiles "CC1=CC(=CC(=C1S(=O)(=O)C)C)OC(=O)NC" ;
dbp:inchikey "InChIKey=RJBJMKAMQIOAML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004640 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metocbsfn" ;
skos:prefLabel "methiocarbsulfon"@nl .
csc:IRLYGRLEBKCYPY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:11868 ;
dbo:casNumber "81789-92-6" , "609-54-1" ;
dbo:formula "C8H10O3S" ;
dbo:inchi "InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)" ;
dbo:iupacName "2,5-DIMETHYLBENZENESULFONIC ACID"@en ;
dbo:pubchem "11868"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)S(=O)(=O)O" ;
dbp:inchikey "InChIKey=IRLYGRLEBKCYPY-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000032 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "25DC1yBensfz" ;
skos:prefLabel "2,5-dimethylbenzeenesulfonzuur"@nl .
csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:5461123 ;
dbo:casNumber "72516-03-1" , "7803-62-5" , "152284-21-4" , "72516-02-0" , "71536-23-7" , "90337-93-2" , "157383-37-4" , "72516-01-9" , "160371-18-6" , "7440-21-3" , "17375-03-0" ;
dbo:formula "Si" ;
dbo:inchi "InChI=1S/Si" ;
dbo:iupacName "Silicon"@en ;
dbo:pubchem "5461123"^^xsd:int ;
dbo:smiles "[Si]" ;
dbp:inchikey "InChIKey=XUIMIQQOPSSXEZ-UHFFFAOYSA-N" ;
skos:altLabel "silicium"@nl ;
skos:broader csc:CHEMONTID_0000431 ;
skos:exactMatch wise:CAS_7440-21-3 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Si" ;
skos:prefLabel "silicium, opgelost"@nl ;
vcs:vmmParameterId "1083"^^xsd:int , "1082"^^xsd:int , "1967"^^xsd:int , "184"^^xsd:int .
csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:3289 ;
dbo:casNumber "13194-48-4" ;
dbo:formula "C8H19O2PS2" ;
dbo:inchi "InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3" ;
dbo:iupacName "1-(ethoxy-propylsulfanylphosphoryl)sulfanylpropane"@en ;
dbo:pubchem "3289"^^xsd:int ;
dbo:smiles "CCCSP(=O)(OCC)SCCC" ;
dbp:inchikey "InChIKey=VJYFKVYYMZPMAB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001438 ;
skos:exactMatch wise:CAS_13194-48-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "etpfs" ;
skos:prefLabel "ethoprofos"@nl ;
vcs:vmmParameterId "416"^^xsd:int .
csc:XEMRAKSQROQPBR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7367 ;
dbo:casNumber "61878-57-7" , "26601-65-0" , "98-07-7" , "30583-33-6" ;
dbo:formula "C7H5Cl3" ;
dbo:inchi "InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H" ;
dbo:iupacName "Trichloromethylbenzene"@en ;
dbo:pubchem "7367"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C(Cl)(Cl)Cl" ;
dbp:inchikey "InChIKey=XEMRAKSQROQPBR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "111TClTol" ;
skos:prefLabel "1,1,1-trichloortolueen"@nl .
csc:VTHJTEIRLNZDEV-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:14791 ;
dbo:casNumber "12195-86-7" , "13760-51-5" , "1309-42-8" , "1317-43-7" ;
dbo:formula "H2MgO2" ;
dbo:inchi "InChI=1S/Mg.2H2O/h;2*1H2/q+2;;/p-2" ;
dbo:iupacName "Magnesium dihydroxide"@en ;
dbo:pubchem "14791"^^xsd:int ;
dbo:smiles "[OH-].[OH-].[Mg+2]" ;
dbp:inchikey "InChIKey=VTHJTEIRLNZDEV-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "MgOH2" ;
skos:prefLabel "magnesiumhydroxide"@nl .
csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7249 ;
dbo:casNumber "95-65-8" ;
dbo:formula "C8H10O" ;
dbo:inchi "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" ;
dbo:iupacName "3,4-Dimethylphenol"@en ;
dbo:pubchem "7249"^^xsd:int ;
dbo:smiles "CC1=C(C=C(C=C1)O)C" ;
dbp:inchikey "InChIKey=YCOXTKKNXUZSKD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001275 ;
skos:exactMatch wise:CAS_95-65-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34DC1yFol" ;
skos:prefLabel "3,4-dimethylfenol"@nl ;
vcs:vmmParameterId "716"^^xsd:int .
csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7285 ;
dbo:casNumber "96-18-4" ;
dbo:formula "C3H5Cl3" ;
dbo:inchi "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2" ;
dbo:iupacName "1,2,3-Trichloropropane"@en ;
dbo:pubchem "7285"^^xsd:int ;
dbo:smiles "C(C(CCl)Cl)Cl" ;
dbp:inchikey "InChIKey=CFXQEHVMCRXUSD-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001516 ;
skos:exactMatch wise:CAS_96-18-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "123TClC3a" ;
skos:prefLabel "1,2,3-trichloorpropaan"@nl ;
vcs:vmmParameterId "315"^^xsd:int .
csc:FMZXNVLFJHCSAF-DNVCBOLYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:21743 ;
dbo:casNumber "5575-21-3" ;
dbo:formula "C20H18N4O5S2" ;
dbo:inchi "InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1" ;
dbo:iupacName "(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en ;
dbo:pubchem "21743"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N" ;
dbp:inchikey "InChIKey=FMZXNVLFJHCSAF-DNVCBOLYSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "cefalonium"@nl .
csc:XSFJVAJPIHIPKU-XWCQMRHXSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:82153 ;
dbo:casNumber "3385-03-3" ;
dbo:formula "C24H31FO6" ;
dbo:inchi "InChI=1S/C24H31FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1" ;
dbo:iupacName "(1S,2S,4R,8S,9S,11S,12S,13R,19S)-19-fluoro-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one"@en ;
dbo:pubchem "82153"^^xsd:int ;
dbo:smiles "CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)F)C" ;
dbp:inchikey "InChIKey=XSFJVAJPIHIPKU-XWCQMRHXSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flunslde" ;
skos:prefLabel "flunisolide"@nl .
csc:XOFYZVNMUHMLCC-ZPOLXVRWSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5865 ;
dbo:casNumber "53-03-2" , "68-59-7" ;
dbo:formula "C21H26O5" ;
dbo:inchi "InChI=1S/C21H26O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1" ;
dbo:iupacName "(8S,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione"@en ;
dbo:pubchem "5865"^^xsd:int ;
dbo:smiles "CC12CC(=O)C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C" ;
dbp:inchikey "InChIKey=XOFYZVNMUHMLCC-ZPOLXVRWSA-N" ;
skos:broader csc:CHEMONTID_0003095 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "prednsn" ;
skos:prefLabel "prednison"@nl .
csc:FQKUGOMFVDPBIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:73675 ;
dbo:casNumber "96827-34-8" , "85509-19-9" ;
dbo:formula "C16H15F2N3Si" ;
dbo:inchi "InChI=1S/C16H15F2N3Si/c1-22(12-21-11-19-10-20-21,15-6-2-13(17)3-7-15)16-8-4-14(18)5-9-16/h2-11H,12H2,1H3" ;
dbo:iupacName "bis(4-fluorophenyl)-methyl-(1,2,4-triazol-1-ylmethyl)silane"@en ;
dbo:pubchem "73675"^^xsd:int ;
dbo:smiles "C[Si](CN1C=NC=N1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F" ;
dbp:inchikey "InChIKey=FQKUGOMFVDPBIZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001100 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fluslzl" ;
skos:prefLabel "flusilazool"@nl .
csc:NPAWGLOPXKCTCV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:17630 ;
dbo:casNumber "2719-63-3" ;
dbo:formula "C18H30" ;
dbo:inchi "InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3" ;
dbo:iupacName "dodecan-5-ylbenzene"@en ;
dbo:pubchem "17630"^^xsd:int ;
dbo:smiles "CCCCCCCC(CCCC)C1=CC=CC=C1" ;
dbp:inchikey "InChIKey=NPAWGLOPXKCTCV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002279 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "1C4yC8yBen" ;
skos:prefLabel "(1-butyloctyl)-benzeen"@nl .
csc:KLIHYVJAYWCEDM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:9176 ;
dbo:casNumber "224-41-9" ;
dbo:formula "C22H14" ;
dbo:inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-13-18-12-10-16-6-2-4-8-20(16)22(18)14-21(17)19/h1-14H" ;
dbo:iupacName "pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene"@en ;
dbo:pubchem "9176"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C5=CC=CC=C5C=C4" ;
dbp:inchikey "InChIKey=KLIHYVJAYWCEDM-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000025 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DBajAnt" ;
skos:prefLabel "dibenzo(a,j)antraceen"@nl .
csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6979 ;
dbo:casNumber "89-63-4" ;
dbo:formula "C6H5ClN2O2" ;
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2" ;
dbo:iupacName "4-Chloro-2-nitroaniline"@en ;
dbo:pubchem "6979"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)[N+](=O)[O-])N" ;
dbp:inchikey "InChIKey=PBGKNXWGYQPUJK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:exactMatch wise:CAS_89-63-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4Cl2NO2An" ;
skos:prefLabel "4-chloor-2-nitroaniline"@nl ;
vcs:vmmParameterId "361"^^xsd:int .
csc:AXCZMVOFGPJBDE-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:14777 ;
dbo:casNumber "1305-62-0" , "7719-01-9" , "1333-29-5" ;
dbo:formula "CaH2O2" ;
dbo:inchi "InChI=1S/Ca.2H2O/h;2*1H2/q+2;;/p-2" ;
dbo:iupacName "Calcium dihydroxide"@en ;
dbo:pubchem "14777"^^xsd:int ;
dbo:smiles "[OH-].[OH-].[Ca+2]" ;
dbp:inchikey "InChIKey=AXCZMVOFGPJBDE-UHFFFAOYSA-L" ;
skos:broader csc:CHEMONTID_0000677 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaOH2" ;
skos:prefLabel "calciumdihydroxide"@nl .
csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:16559 ;
dbo:casNumber "2164-08-1" ;
dbo:formula "C13H18N2O2" ;
dbo:inchi "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)" ;
dbo:iupacName "3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione"@en ;
dbo:pubchem "16559"^^xsd:int ;
dbo:smiles "C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O" ;
dbp:inchikey "InChIKey=ZTMKADLOSYKWCA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004161 ;
skos:exactMatch wise:CAS_2164-08-1 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "lencl" ;
skos:prefLabel "lenacil"@nl ;
vcs:vmmParameterId "1084"^^xsd:int .
csc:ZRKWMRDKSOPRRS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:12699 ;
dbo:casNumber "684-93-5" , "28606-00-0" , "820-60-0" , "126742-50-5" ;
dbo:formula "C2H5N3O2" ;
dbo:inchi "InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)" ;
dbo:iupacName "1-Methyl-1-nitrosourea"@en ;
dbo:pubchem "12699"^^xsd:int ;
dbo:smiles "CN(C(=O)N)N=O" ;
dbp:inchikey "InChIKey=ZRKWMRDKSOPRRS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002444 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yNOurm" ;
skos:prefLabel "methylnitrosoureum"@nl .
csc:WEHWNAOGRSTTBQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:8902 ;
dbo:casNumber "142-84-7" ;
dbo:formula "C6H15N" ;
dbo:inchi "InChI=1S/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H3" ;
dbo:iupacName "N-propylpropan-1-amine"@en ;
dbo:pubchem "8902"^^xsd:int ;
dbo:smiles "CCCNCCC" ;
dbp:inchikey "InChIKey=WEHWNAOGRSTTBQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002228 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "DC3yAe" ;
skos:prefLabel "dipropylamine"@nl .
csc:TZIHFWKZFHZASV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl ;
rdfs:seeAlso compound:7865 ;
dbo:casNumber "107-31-3" ;
dbo:formula "C2H4O2" ;
dbo:inchi "InChI=1S/C2H4O2/c1-4-2-3/h2H,1H3" ;
dbo:iupacName "METHYL FORMATE"@en ;
dbo:pubchem "7865"^^xsd:int ;
dbo:smiles "COC=O" ;
dbp:inchikey "InChIKey=TZIHFWKZFHZASV-UHFFFAOYSA-N" ;
skos:altLabel "methylformaat"@nl , "methylformiaat"@nl ;
skos:broader csc:CHEMONTID_0001238 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C1yfmt" ;
skos:prefLabel "methylformiaat "@nl .
csc:DUFVKSUJRWYZQP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:91758 ;
dbo:casNumber "98886-44-3" ;
dbo:formula "C9H18NO3PS2" ;
dbo:inchi "InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3" ;
dbo:iupacName "3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one"@en ;
dbo:pubchem "91758"^^xsd:int ;
dbo:smiles "CCC(C)SP(=O)(N1CCSC1=O)OCC" ;
dbp:inchikey "InChIKey=DUFVKSUJRWYZQP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000226 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fostazt" ;
skos:prefLabel "fosthiazaat"@nl .
csc:GMBRUAIJEFRHFQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3033865 ;
dbo:casNumber "103112-35-2" ;
dbo:formula "C12H8Cl5N3O2" ;
dbo:inchi "InChI=1S/C12H8Cl5N3O2/c1-2-22-10(21)9-18-11(12(15,16)17)20(19-9)8-4-3-6(13)5-7(8)14/h3-5H,2H2,1H3" ;
dbo:iupacName "ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate"@en ;
dbo:pubchem "3033865"^^xsd:int ;
dbo:smiles "CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl" ;
dbp:inchikey "InChIKey=GMBRUAIJEFRHFQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003314 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "fecrzlC2y" ;
skos:prefLabel "fenchlorazool-ethyl"@nl .
csc:AWJUIBRHMBBTKR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:8405 ;
dbo:casNumber "119-65-3" ;
dbo:formula "C9H7N" ;
dbo:inchi "InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H" ;
dbo:iupacName "Isoquinoline"@en ;
dbo:pubchem "8405"^^xsd:int ;
dbo:smiles "C1=CC=C2C=NC=CC2=C1" ;
dbp:inchikey "InChIKey=AWJUIBRHMBBTKR-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002566 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "iqnlne" ;
skos:prefLabel "isoquinoline"@nl .
csc:VJHCJDRQFCCTHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:24748 ;
dbo:casNumber "204336-41-4" , "191616-54-3" , "196886-89-2" , "9000-11-7" , "177317-30-5" ;
dbo:formula "C8H16O8" ;
dbo:inchi "InChI=1S/C6H12O6.C2H4O2/c7-1-3(9)5(11)6(12)4(10)2-8;1-2(3)4/h1,3-6,8-12H,2H2;1H3,(H,3,4)" ;
dbo:iupacName "acetic acid; 2,3,4,5,6-pentahydroxyhexanal"@en ;
dbo:pubchem "24748"^^xsd:int ;
dbo:smiles "CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O" ;
dbp:inchikey "InChIKey=VJHCJDRQFCCTHL-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001498 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CMC" ;
skos:prefLabel "carboxymethylcellulose (CMC)"@nl .
csc:LZDKZFUFMNSQCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:12375 ;
dbo:casNumber "629-14-1" ;
dbo:formula "C6H14O2" ;
dbo:inchi "InChI=1S/C6H14O2/c1-3-7-5-6-8-4-2/h3-6H2,1-2H3" ;
dbo:iupacName "1,2-Diethoxyethane"@en ;
dbo:pubchem "12375"^^xsd:int ;
dbo:smiles "CCOCCOCC" ;
dbp:inchikey "InChIKey=LZDKZFUFMNSQCJ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001167 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "12DC2oxC2a" ;
skos:prefLabel "1,2-diethoxyethaan (diethylglycol)"@nl .
csc:MQCPOLNSJCWPGT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:75575 ;
dbo:casNumber "2467-02-9" ;
dbo:formula "C13H12O2" ;
dbo:inchi "InChI=1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2" ;
dbo:iupacName "2-[(2-hydroxyphenyl)methyl]phenol"@en ;
dbo:pubchem "75575"^^xsd:int ;
dbo:smiles "C1=CC=C(C(=C1)CC2=CC=CC=C2O)O" ;
dbp:inchikey "InChIKey=MQCPOLNSJCWPGT-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "bisFolF" ;
skos:prefLabel "bisfenol-F"@nl .
csc:DQZCVNGCTZLGAQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:16554 ;
dbo:casNumber "2163-69-1" ;
dbo:formula "C11H22N2O" ;
dbo:inchi "InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)" ;
dbo:iupacName "3-Cyclooctyl-1,1-dimethylurea"@en ;
dbo:pubchem "16554"^^xsd:int ;
dbo:smiles "CN(C)C(=O)NC1CCCCCCC1" ;
dbp:inchikey "InChIKey=DQZCVNGCTZLGAQ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000517 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cycrn" ;
skos:prefLabel "cycluron"@nl .
csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11123 ;
dbo:casNumber "554-00-7" ;
dbo:formula "C6H5Cl2N" ;
dbo:inchi "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2" ;
dbo:iupacName "2,4-Dichloroaniline"@en ;
dbo:pubchem "11123"^^xsd:int ;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)N" ;
dbp:inchikey "InChIKey=KQCMTOWTPBNWDB-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002564 ;
skos:exactMatch wise:CAS_554-00-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "24DClAn" ;
skos:prefLabel "2,4-dichlooraniline"@nl ;
vcs:vmmParameterId "44"^^xsd:int .
csc:NZNRRXXETLSZRO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10372 ;
dbo:casNumber "500-28-7" ;
dbo:formula "C8H9ClNO5PS" ;
dbo:inchi "InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3" ;
dbo:iupacName "(3-chloro-4-nitrophenoxy)-dimethoxy-sulfanylidenephosphorane"@en ;
dbo:pubchem "10372"^^xsd:int ;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])Cl" ;
dbp:inchikey "InChIKey=NZNRRXXETLSZRO-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004748 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Clton" ;
skos:prefLabel "chloorthion"@nl .
csc:IOVCWXUNBOPUCH-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:946 ;
dbo:casNumber "14797-65-0" , "12183-96-9" , "114466-53-4" ;
dbo:formula "NO2-" ;
dbo:inchi "InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1" ;
dbo:iupacName "NITRITE"@en ;
dbo:pubchem "946"^^xsd:int ;
dbo:smiles "N(=O)[O-]" ;
dbp:inchikey "InChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-M" ;
dct:isReferencedBy co:CMA_2_IV_4 , co:WAC_III_C_002 ;
skos:broader csc:CHEMONTID_0001061 ;
skos:exactMatch wise:CAS_14797-65-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "NO2" ;
skos:prefLabel "nitriet"@nl ;
vcs:vmmParameterId "10"^^xsd:int , "9"^^xsd:int .
csc:PZOIECHFNQBYRT-YRNVUSSQSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5491760 ;
dbo:casNumber "39184-59-3" ;
dbo:formula "C9H18N2O4S" ;
dbo:inchi "InChI=1S/C9H18N2O4S/c1-9(2,3)7(6-16(5,13)14)11-15-8(12)10-4/h6H2,1-5H3,(H,10,12)/b11-7+" ;
dbo:iupacName "[(Z)-(3,3-dimethyl-1-methylsulfonylbutan-2-ylidene)amino] N-methylcarbamate"@en ;
dbo:pubchem "5491760"^^xsd:int ;
dbo:smiles "CC(C)(C)C(=NOC(=O)NC)CS(=O)(=O)C" ;
dbp:inchikey "InChIKey=PZOIECHFNQBYRT-YRNVUSSQSA-N" ;
skos:broader csc:CHEMONTID_0004752 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tofnsfn" ;
skos:prefLabel "thiofanox-sulfon"@nl .
csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl ;
rdfs:seeAlso compound:7247 ;
dbo:casNumber "95-63-6" , "95-36-3" ;
dbo:formula "C9H12" ;
dbo:inchi "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3" ;
dbo:iupacName "1,2,4-Trimethylbenzene"@en ;
dbo:pubchem "7247"^^xsd:int ;
dbo:smiles "CC1=CC(=C(C=C1)C)C" ;
dbp:inchikey "InChIKey=GWHJZXXIDMPWGX-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_IV_001 , co:LUC_IV_011 , co:LUC_IV_000 ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_95-63-6 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "124TC1yBen" ;
skos:prefLabel "1,2,4-trimethylbenzeen"@nl ;
vcs:vmmParameterId "539"^^xsd:int .
csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42540 ;
dbo:casNumber "57653-85-7" ;
dbo:formula "C12H2Cl6O2" ;
dbo:inchi "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-6-2-4(14)8(16)10(18)12(6)19-5/h1-2H" ;
dbo:iupacName "1,2,3,6,7,8-hexachlorooxanthrene"@en ;
dbo:pubchem "42540"^^xsd:int ;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=CC(=C(C(=C3O2)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=YCLUIPQDHHPDJJ-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel " 1,2,3,6,7,8-hexachloordibenzodioxine"@nl , "1,2,3,6,7,8-hexachloordibenzodioxine (hxcdd)"@nl , "1,2,3,6,7,8-hexachloordibenzodioxine"@nl , "1,2,3,6,7,8-hexachloordibenzo-para-dioxine"@nl ;
skos:broader csc:CHEMONTID_0000420 ;
skos:exactMatch wise:CAS_57653-85-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDD67" ;
skos:prefLabel "1,2,3,6,7,8-hexachloordibenzo-p-dioxine"@nl ;
vcs:vmmParameterId "1249"^^xsd:int .
csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:62773 ;
dbo:casNumber "23560-59-0" , "77107-77-8" ;
dbo:formula "C9H12ClO4P" ;
dbo:inchi "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3" ;
dbo:iupacName "(6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate"@en ;
dbo:pubchem "62773"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC1=C(C2C1CC=C2)Cl" ;
dbp:inchikey "InChIKey=GBAWQJNHVWMTLU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003459 ;
skos:exactMatch wise:CAS_23560-59-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "heptnfs" ;
skos:prefLabel "heptenofos"@nl ;
vcs:vmmParameterId "730"^^xsd:int .
csc:ZLBGSRMUSVULIE-SJRQICMCSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6436638 ;
dbo:casNumber "51596-10-2" ;
dbo:formula "C31H44O7" ;
dbo:inchi "InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8+/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1" ;
dbo:iupacName "(1R,4S,5'S,6R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en ;
dbo:pubchem "6436638"^^xsd:int ;
dbo:smiles "CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)C)OC1C" ;
dbp:inchikey "InChIKey=ZLBGSRMUSVULIE-SJRQICMCSA-N" ;
skos:altLabel "milbemycin a3"@nl ;
skos:broader csc:CHEMONTID_0002902 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "milbmcA3" ;
skos:prefLabel "milbemycin A3"@nl .
csc:QMGVPVSNSZLJIA-FVWCLLPLSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:441071 ;
dbo:casNumber "57-24-9" ;
dbo:formula "C21H22N2O2" ;
dbo:inchi "InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1" ;
dbo:iupacName "(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one"@en ;
dbo:pubchem "441071"^^xsd:int ;
dbo:smiles "C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75" ;
dbp:inchikey "InChIKey=QMGVPVSNSZLJIA-FVWCLLPLSA-N" ;
skos:broader csc:CHEMONTID_0002749 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "strychnne" ;
skos:prefLabel "strychnine"@nl .
csc:JCXGWMGPZLAOME-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:6335818 ;
dbo:casNumber "13982-38-2" ;
dbo:formula "Bi" ;
dbo:inchi "InChI=1S/Bi/i1-2" ;
dbo:iupacName "bismuth-207"@en ;
dbo:pubchem "6335818"^^xsd:int ;
dbo:smiles "[Bi]" ;
dbp:inchikey "InChIKey=JCXGWMGPZLAOME-YPZZEJLDSA-N" ;
skos:broader csc:CHEMONTID_0000427 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Bi207" ;
skos:prefLabel "bismuth 207"@nl .
csc:IBDIPBWIXJRJQM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:3057998 ;
dbo:casNumber "82801-81-8" , "74341-78-9" ;
dbo:formula "C12H18ClNO2" ;
dbo:inchi "InChI=1S/C12H17NO2.ClH/c1-3-13-9(2)6-10-4-5-11-12(7-10)15-8-14-11;/h4-5,7,9,13H,3,6,8H2,1-2H3;1H" ;
dbo:iupacName "1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine hydrochloride"@en ;
dbo:pubchem "3057998"^^xsd:int ;
dbo:smiles "CCNC(C)CC1=CC2=C(C=C1)OCO2.Cl" ;
dbp:inchikey "InChIKey=IBDIPBWIXJRJQM-UHFFFAOYSA-N" ;
skos:altLabel "3,4-Methyleendioxyethamfetamine"@nl ;
skos:broader csc:CHEMONTID_0000296 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "34C1yeDoxeaf" ;
skos:prefLabel "3,4-methyleendioxyethamfetamine"@nl .
csc:KBPCCVWUMVGXGF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:14069 ;
dbo:casNumber "1072-05-5" ;
dbo:formula "C9H20" ;
dbo:inchi "InChI=1S/C9H20/c1-8(2)6-5-7-9(3)4/h8-9H,5-7H2,1-4H3" ;
dbo:iupacName "2,6-DIMETHYLHEPTANE"@en ;
dbo:pubchem "14069"^^xsd:int ;
dbo:smiles "CC(C)CCCC(C)C" ;
dbp:inchikey "InChIKey=KBPCCVWUMVGXGF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "26DC1yC7a" ;
skos:prefLabel "2,6-dimethylheptaan"@nl .
csc:ZFFMLCVRJBZUDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:6589 ;
dbo:casNumber "79-29-8" ;
dbo:formula "C6H14" ;
dbo:inchi "InChI=1S/C6H14/c1-5(2)6(3)4/h5-6H,1-4H3" ;
dbo:iupacName "2,3-Dimethylbutane"@en ;
dbo:pubchem "6589"^^xsd:int ;
dbo:smiles "CC(C)C(C)C" ;
dbp:inchikey "InChIKey=ZFFMLCVRJBZUDZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004620 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yC4a" ;
skos:prefLabel "2,3-dimethylbutaan"@nl .
csc:RAPBNVDSDCTNRC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10522 ;
dbo:casNumber "510-15-6" ;
dbo:formula "C16H14Cl2O3" ;
dbo:inchi "InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3" ;
dbo:iupacName "ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate"@en ;
dbo:pubchem "10522"^^xsd:int ;
dbo:smiles "CCOC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O" ;
dbp:inchikey "InChIKey=RAPBNVDSDCTNRC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C2y44DClbzlt" ;
skos:prefLabel "ethyl-4,4'-dichloorbenzilaat"@nl .
csc:KNWODGJQLCISLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:56207 ;
dbo:casNumber "91296-87-6" , "98105-99-8" ;
dbo:formula "C20H18ClF2N3O3" ;
dbo:inchi "InChI=1S/C20H17F2N3O3.ClH/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24;/h1-4,9-11,23H,5-8H2,(H,27,28);1H" ;
dbo:iupacName "6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid hydrochloride"@en ;
dbo:pubchem "56207"^^xsd:int ;
dbo:smiles "C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl" ;
dbp:inchikey "InChIKey=KNWODGJQLCISLC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0002348 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "sarafloxacine"@nl .
csc:BKAYSPSVVJBHHK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:26450 ;
dbo:casNumber "14088-71-2" ;
dbo:formula "C16H14Cl2O" ;
dbo:inchi "InChI=1S/C16H14Cl2O/c17-14-7-3-12(4-8-14)16(19,11-1-2-11)13-5-9-15(18)10-6-13/h3-11,19H,1-2H2" ;
dbo:iupacName "bis(4-chlorophenyl)-cyclopropylmethanol"@en ;
dbo:pubchem "26450"^^xsd:int ;
dbo:smiles "C1CC1C(C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O" ;
dbp:inchikey "InChIKey=BKAYSPSVVJBHHK-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000369 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "proclnl" ;
skos:prefLabel "proclonol"@nl .
csc:JFALSRSLKYAFGM-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:61784 ;
dbo:casNumber "15117-96-1" ;
dbo:formula "U" ;
dbo:inchi "InChI=1S/U/i1-3" ;
dbo:iupacName "uranium-235"@en ;
dbo:pubchem "61784"^^xsd:int ;
dbo:smiles "[U]" ;
dbp:inchikey "InChIKey=JFALSRSLKYAFGM-OIOBTWANSA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "U235" ;
skos:prefLabel "uranium 235"@nl .
csc:OCATYIAKPYKMPG-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:24444 ;
dbo:casNumber "7758-01-2" ;
dbo:formula "BrKO3" ;
dbo:inchi "InChI=1S/BrHO3.K/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1" ;
dbo:iupacName "POTASSIUM BROMATE"@en ;
dbo:pubchem "24444"^^xsd:int ;
dbo:smiles "[O-]Br(=O)=O.[K+]" ;
dbp:inchikey "InChIKey=OCATYIAKPYKMPG-UHFFFAOYSA-M" ;
skos:broader csc:CHEMONTID_0000631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "KBrO3" ;
skos:prefLabel "kaliumbromaat"@nl .
csc:LGZZJTIUEJNNKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:15766 ;
dbo:casNumber "1825-19-0" ;
dbo:formula "C7H3Cl5S" ;
dbo:inchi "InChI=1S/C7H3Cl5S/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-methylsulfanylbenzene"@en ;
dbo:pubchem "15766"^^xsd:int ;
dbo:smiles "CSC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=LGZZJTIUEJNNKV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCTA" ;
skos:prefLabel "pentachloorthioanisole"@nl .
csc:POULHZVOKOAJMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3893 ;
dbo:casNumber "8045-27-0" , "143-07-7" , "7632-48-6" , "203714-07-2" , "8000-62-2" ;
dbo:formula "C12H24O2" ;
dbo:inchi "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)" ;
dbo:iupacName "Dodecanoic acid"@en ;
dbo:pubchem "3893"^^xsd:int ;
dbo:smiles "CCCCCCCCCCCC(=O)O" ;
dbp:inchikey "InChIKey=POULHZVOKOAJMA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003086 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C12azr" ;
skos:prefLabel "dodecaanzuur"@nl .
csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:6950 ;
dbo:casNumber "88-85-7" , "152212-20-9" , "39403-80-0" ;
dbo:formula "C10H12N2O5" ;
dbo:inchi "InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3" ;
dbo:iupacName "2-butan-2-yl-4,6-dinitrophenol"@en ;
dbo:pubchem "6950"^^xsd:int ;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O" ;
dbp:inchikey "InChIKey=OWZPCEFYPSAJFR-UHFFFAOYSA-N" ;
skos:altLabel "2-sec-butyl-4,6-dinitrofenol"@nl ;
skos:broader csc:CHEMONTID_0004505 ;
skos:exactMatch wise:CAS_88-85-7 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Dnsb" ;
skos:prefLabel "dinoseb"@nl ;
vcs:vmmParameterId "761"^^xsd:int .
csc:VTYYLEPIZMXCLO-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:10112 ;
dbo:casNumber "63660-97-9" , "146358-95-4" , "13397-26-7" , "114453-69-9" , "172307-27-6" , "1317-65-3" , "39454-55-2" , "72608-12-9" , "471-34-1" , "180616-31-3" , "137803-94-2" , "71060-88-3" , "166516-01-4" , "251358-28-8" , "60083-79-6" ;
dbo:formula "CCaO3" ;
dbo:inchi "InChI=1S/CH2O3.Ca/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2" ;
dbo:iupacName "Calcium carbonate"@en ;
dbo:pubchem "10112"^^xsd:int ;
dbo:smiles "C(=O)([O-])[O-].[Ca+2]" ;
dbp:inchikey "InChIKey=VTYYLEPIZMXCLO-UHFFFAOYSA-L" ;
skos:altLabel "calciumcarbonaat"@nl ;
skos:broader csc:CHEMONTID_0001521 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CaCO3" , "calct" ;
skos:prefLabel "calciet"@nl .
csc:BAFQDKPJKOLXFZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:13708 ;
dbo:casNumber "950-35-6" ;
dbo:formula "C8H10NO6P" ;
dbo:inchi "InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3" ;
dbo:iupacName "dimethyl (4-nitrophenyl) phosphate"@en ;
dbo:pubchem "13708"^^xsd:int ;
dbo:smiles "COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=BAFQDKPJKOLXFZ-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "paroonC1y" ;
skos:prefLabel "paraoxon-methyl"@nl .
csc:AGUIVNYEYSCPNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10178 ;
dbo:casNumber "479-45-8" ;
dbo:formula "C7H5N5O8" ;
dbo:inchi "InChI=1S/C7H5N5O8/c1-8(12(19)20)7-5(10(15)16)2-4(9(13)14)3-6(7)11(17)18/h2-3H,1H3" ;
dbo:iupacName "N-methyl-N-(2,4,6-trinitrophenyl)nitramide"@en ;
dbo:pubchem "10178"^^xsd:int ;
dbo:smiles "CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]" ;
dbp:inchikey "InChIKey=AGUIVNYEYSCPNI-UHFFFAOYSA-N" ;
skos:altLabel "tetryl (CE)"@nl ;
skos:broader csc:CHEMONTID_0000036 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tetl" ;
skos:prefLabel "tetryl (ce)"@nl .
csc:FDTQTOKRWQJRAC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:154379 ;
dbo:casNumber "57964-39-3" ;
dbo:formula "C14H14N2" ;
dbo:inchi "InChI=1S/C14H14N2/c1-10(8-15)12-7-6-11(9-16)13-4-2-3-5-14(12)13/h2-5,10-12H,6-7H2,1H3" ;
dbo:iupacName "4-(1-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-1-carbonitrile"@en ;
dbo:pubchem "154379"^^xsd:int ;
dbo:smiles "CC(C#N)C1CCC(C2=CC=CC=C12)C#N" ;
dbp:inchikey "InChIKey=FDTQTOKRWQJRAC-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000048 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "4CN1234T4HaC" ;
skos:prefLabel "4-cyaan-1,2,3,4-tetrahydro-alfamethyl-1-naftaleenacetonitril"@nl .
csc:CERQOIWHTDAKMF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:4093 ;
dbo:casNumber "115708-68-4" , "79-41-4" , "463311-95-7" ;
dbo:formula "C4H6O2" ;
dbo:inchi "InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)" ;
dbo:iupacName "2-methylprop-2-enoic acid"@en ;
dbo:pubchem "4093"^^xsd:int ;
dbo:smiles "CC(=C)C(=O)O" ;
dbp:inchikey "InChIKey=CERQOIWHTDAKMF-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0001205 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "metaczr" ;
skos:prefLabel "methacrylzuur"@nl .
csc:WWGUMAYGTYQSGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:11386 ;
dbo:casNumber "581-40-8" ;
dbo:formula "C12H12" ;
dbo:inchi "InChI=1S/C12H12/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-8H,1-2H3" ;
dbo:iupacName "2,3-Dimethylnaphthalene"@en ;
dbo:pubchem "11386"^^xsd:int ;
dbo:smiles "CC1=CC2=CC=CC=C2C=C1C" ;
dbp:inchikey "InChIKey=WWGUMAYGTYQSGA-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000023 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23DC1yNaf" ;
skos:prefLabel "2,3-dimethylnaftaleen"@nl .
csc:BBABSCYTNHOKOG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:15767 ;
dbo:casNumber "1825-21-4" ;
dbo:formula "C7H3Cl5O" ;
dbo:inchi "InChI=1S/C7H3Cl5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3" ;
dbo:iupacName "1,2,3,4,5-pentachloro-6-methoxybenzene"@en ;
dbo:pubchem "15767"^^xsd:int ;
dbo:smiles "COC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=BBABSCYTNHOKOG-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000138 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PeClansl" ;
skos:prefLabel "pentachlooranisol"@nl .
csc:IOFHZPVEQXTSQW-BXUZGUMPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:162287 ;
dbo:casNumber "38115-21-8" ;
dbo:formula "C15H15N3O5S2" ;
dbo:inchi "InChI=1S/C15H15N3O5S2/c19-5-8-6-25-14-11(13(21)18(14)12(8)15(22)23)17-10(20)7-24-9-1-3-16-4-2-9/h1-4,11,14,19H,5-7H2,(H,17,20)(H,22,23)/t11-,14-/m1/s1" ;
dbo:iupacName "(6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en ;
dbo:pubchem "162287"^^xsd:int ;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)CSC3=CC=NC=C3)C(=O)O)CO" ;
dbp:inchikey "InChIKey=IOFHZPVEQXTSQW-BXUZGUMPSA-N" ;
skos:broader csc:CHEMONTID_0000173 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "desacetycefapirine"@nl .
csc:OTVAEFIXJLOWRX-NXEZZACHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:27200 ;
dbo:casNumber "15318-45-3" , "90-91-5" , "32430-04-9" , "3785-14-6" , "14786-51-7" ;
dbo:formula "C12H15Cl2NO5S" ;
dbo:inchi "InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m1/s1" ;
dbo:iupacName "2,2-dichloro-N-[(1R,2R)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en ;
dbo:pubchem "27200"^^xsd:int ;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CO)NC(=O)C(Cl)Cl)O" ;
dbp:inchikey "InChIKey=OTVAEFIXJLOWRX-NXEZZACHSA-N" ;
skos:broader csc:CHEMONTID_0004233 ;
skos:inScheme vlcs:chemische_stof ;
skos:prefLabel "thiamfenicol"@nl .
csc:WJCNZQLZVWNLKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:5430 ;
dbo:casNumber "145316-67-2" , "94977-06-7" , "8028-27-1" , "123242-33-1" , "98002-42-7" , "8018-04-0" , "148-79-8" , "8027-10-9" ;
dbo:formula "C10H7N3S" ;
dbo:inchi "InChI=1S/C10H7N3S/c1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-6H,(H,12,13)" ;
dbo:iupacName "2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLE"@en ;
dbo:pubchem "5430"^^xsd:int ;
dbo:smiles "C1=CC=C2C(=C1)NC(=N2)C3=CSC=N3" ;
dbp:inchikey "InChIKey=WJCNZQLZVWNLKY-UHFFFAOYSA-N" ;
skos:altLabel "thiabendazol"@nl ;
skos:broader csc:CHEMONTID_0000294 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "tabdzl" ;
skos:prefLabel "thiabendazole"@nl .
csc:CXOYNJAHPUASHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:40477 ;
dbo:casNumber "52663-70-4" ;
dbo:formula "C12H3Cl7" ;
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)12(5)19)8-10(17)6(14)3-7(15)11(8)18/h1-3H" ;
dbo:iupacName "1,2,4,5-tetrachloro-3-(2,3,4-trichlorophenyl)benzene"@en ;
dbo:pubchem "40477"^^xsd:int ;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=CXOYNJAHPUASHN-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003030 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCB177" ;
skos:prefLabel "2,2',3,3',4,5',6-heptachloorbifenyl"@nl .
csc:LVQDKIWDGQRHTE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:47866 ;
dbo:casNumber "66215-27-8" ;
dbo:formula "C6H10N6" ;
dbo:inchi "InChI=1S/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)" ;
dbo:iupacName "N2-cyclopropyl-1,3,5-triazine-2,4,6-triamine"@en ;
dbo:pubchem "47866"^^xsd:int ;
dbo:smiles "C1CC1NC2=NC(=NC(=N2)N)N" ;
dbp:inchikey "InChIKey=LVQDKIWDGQRHTE-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003080 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "cyrmzne" ;
skos:prefLabel "cyromazine"@nl .
csc:RXPQRKFMDQNODS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:10546 ;
dbo:casNumber "513-08-6" ;
dbo:formula "C9H21O4P" ;
dbo:inchi "InChI=1S/C9H21O4P/c1-4-7-11-14(10,12-8-5-2)13-9-6-3/h4-9H2,1-3H3" ;
dbo:iupacName "Tripropyl phosphate"@en ;
dbo:pubchem "10546"^^xsd:int ;
dbo:smiles "CCCOP(=O)(OCCC)OCCC" ;
dbp:inchikey "InChIKey=RXPQRKFMDQNODS-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0003460 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC3yPO4" ;
skos:prefLabel "tripropylfosfaat"@nl .
csc:KIDHWZJUCRJVML-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:1045 ;
dbo:casNumber "1071-98-3" , "110-60-1" ;
dbo:formula "C4H12N2" ;
dbo:inchi "InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2" ;
dbo:iupacName "['butane-1,4-diamine', 'but-2-ynedinitrile']"@en ;
dbo:pubchem "1045"^^xsd:int ;
dbo:smiles "C(CCN)CN" ;
dbp:inchikey "InChIKey=KIDHWZJUCRJVML-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000469 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "14C4aDAe" ;
skos:prefLabel "1,4-butaandiamine"@nl .
csc:PCHJSUWPFVWCPO-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:167085 ;
dbo:casNumber "14391-11-8" ;
dbo:formula "Au" ;
dbo:inchi "InChI=1S/Au/i1+2" ;
dbo:iupacName "gold-199"@en ;
dbo:pubchem "167085"^^xsd:int ;
dbo:smiles "[Au]" ;
dbp:inchikey "InChIKey=PCHJSUWPFVWCPO-NJFSPNSNSA-N" ;
skos:broader csc:CHEMONTID_0000426 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Au199" ;
skos:prefLabel "goud 199"@nl .
csc:NVGOPFQZYCNLDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:33775 ;
dbo:casNumber "27314-13-2" ;
dbo:formula "C12H9ClF3N3O" ;
dbo:inchi "InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3" ;
dbo:iupacName "4-chloro-5-methylamino-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one"@en ;
dbo:pubchem "33775"^^xsd:int ;
dbo:smiles "CNC1=C(C(=O)N(N=C1)C2=CC=CC(=C2)C(F)(F)F)Cl" ;
dbp:inchikey "InChIKey=NVGOPFQZYCNLDU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004551 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "norfrzn" ;
skos:prefLabel "norflurazon"@nl .
csc:OYEHPCDNVJXUIW-FTXFMUIASA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:61782 ;
dbo:casNumber "15117-48-3" , "97918-67-7" ;
dbo:formula "Pu" ;
dbo:inchi "InChI=1S/Pu/i1-5" ;
dbo:iupacName "plutonium-239"@en ;
dbo:pubchem "61782"^^xsd:int ;
dbo:smiles "[Pu]" ;
dbp:inchikey "InChIKey=OYEHPCDNVJXUIW-FTXFMUIASA-N" ;
skos:broader csc:CHEMONTID_0000430 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pu239" ;
skos:prefLabel "plutonium 239"@nl .
csc:ZCNQYNHDVRPZIH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:93542 ;
dbo:casNumber "117337-19-6" ;
dbo:formula "C15H15ClFN3O3S2" ;
dbo:inchi "InChI=1S/C15H15ClFN3O3S2/c1-23-13(21)8-24-12-7-11(10(17)6-9(12)16)18-14-19-4-2-3-5-20(19)15(22)25-14/h6-7H,2-5,8H2,1H3" ;
dbo:iupacName "methyl 2-[2-chloro-4-fluoro-5-[(3-oxo-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,4-a]pyridazin-1-ylidene)amino]phenyl]sulfanylacetate"@en ;
dbo:pubchem "93542"^^xsd:int ;
dbo:smiles "COC(=O)CSC1=C(C=C(C(=C1)N=C2N3CCCCN3C(=O)S2)F)Cl" ;
dbp:inchikey "InChIKey=ZCNQYNHDVRPZIH-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004631 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "flutcC1y" ;
skos:prefLabel "fluthiacet-methyl"@nl .
csc:STCOOQWBFONSKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept ;
rdfs:seeAlso compound:31357 ;
dbo:casNumber "126-73-8" , "19824-61-4" , "80094-39-9" , "15158-85-7" ;
dbo:formula "C12H27O4P" ;
dbo:inchi "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3" ;
dbo:iupacName "['tributoxy-hydroxyphosphanium', 'Tributyl phosphate']"@en ;
dbo:pubchem "31357"^^xsd:int ;
dbo:smiles "CCCCOP(=O)(OCCCC)OCCCC" ;
dbp:inchikey "InChIKey=STCOOQWBFONSKY-UHFFFAOYSA-N" ;
skos:altLabel "tri-n-butylfosfaat"@nl ;
skos:broader csc:CHEMONTID_0003460 ;
skos:exactMatch wise:CAS_126-73-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "TC4yPO4" ;
skos:prefLabel "tributylfosfaat"@nl ;
vcs:vmmParameterId "520"^^xsd:int .
csc:OGBQILNBLMPPDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl ;
rdfs:seeAlso compound:42128 ;
dbo:casNumber "57117-31-4" ;
dbo:formula "C12H3Cl5O" ;
dbo:inchi "InChI=1S/C12H3Cl5O/c13-6-1-4-5-2-8(15)10(16)11(17)12(5)18-9(4)3-7(6)14/h1-3H" ;
dbo:iupacName "2,3,4,7,8-PENTACHLORODIBENZOFURAN"@en ;
dbo:pubchem "42128"^^xsd:int ;
dbo:smiles "C1=C2C3=CC(=C(C(=C3OC2=CC(=C1Cl)Cl)Cl)Cl)Cl" ;
dbp:inchikey "InChIKey=OGBQILNBLMPPDP-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_002 ;
skos:altLabel "2,3,4,7,8-pentachloordibenzofuraan (pecdf)"@nl , " 2,3,4,7,8-pentachloordibenzofuraan"@nl , "2,3,4,7,8-pentachloordibenzofuran"@nl ;
skos:broader csc:CHEMONTID_0003029 ;
skos:exactMatch wise:CAS_57117-31-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "PCDF114" ;
skos:prefLabel "2,3,4,7,8-pentachloordibenzofuraan"@nl ;
vcs:vmmParameterId "1239"^^xsd:int .
csc:BBEAQIROQSPTKN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:31423 ;
dbo:casNumber "76165-23-6" , "129-00-0" ;
dbo:formula "C16H10" ;
dbo:inchi "InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H" ;
dbo:iupacName "PYRENE"@en ;
dbo:pubchem "31423"^^xsd:int ;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=CC=CC(=C43)C=C2" ;
dbp:inchikey "InChIKey=BBEAQIROQSPTKN-UHFFFAOYSA-N" ;
dct:isReferencedBy co:LUC_VI_001 ;
skos:broader csc:CHEMONTID_0001851 ;
skos:exactMatch wise:CAS_129-00-0 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Pyr" ;
skos:prefLabel "pyreen"@nl ;
vcs:vmmParameterId "1434"^^xsd:int , "434"^^xsd:int .
csc:ATNHDLDRLWWWCB-ZPPYAHEGSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:5280772 ;
dbo:casNumber "479-61-8" ;
dbo:formula "C55H72MgN4O5" ;
dbo:inchi "InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32?,33?,37-,41-,51?;/m0./s1" ;
dbo:iupacName "magnesium;methyl (21S,22S)-16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate"@en ;
dbo:pubchem "5280772"^^xsd:int ;
dbo:smiles "CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2]" ;
dbp:inchikey "InChIKey=ATNHDLDRLWWWCB-ZPPYAHEGSA-M" ;
skos:broader csc:CHEMONTID_0000716 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "CHLFa" ;
skos:prefLabel "chlorofyl-a"@nl .
csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:7095 ;
dbo:casNumber "56481-93-7" , "72931-46-5" , "81846-81-3" , "92-52-4" , "68409-73-4" ;
dbo:formula "C12H10" ;
dbo:inchi "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H" ;
dbo:iupacName "Phenylbenzene"@en ;
dbo:pubchem "7095"^^xsd:int ;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=C2" ;
dbp:inchikey "InChIKey=ZUOUZKKEUPVFJK-UHFFFAOYSA-N" ;
skos:altLabel "bifenyl"@nl ;
skos:broader csc:CHEMONTID_0000041 ;
skos:exactMatch wise:CAS_92-52-4 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "biFy" ;
skos:prefLabel "difenyl"@nl ;
vcs:vmmParameterId "498"^^xsd:int .
csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound ;
rdfs:seeAlso compound:7705 ;
dbo:casNumber "104-51-8" , "74296-32-5" ;
dbo:formula "C10H14" ;
dbo:inchi "InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3" ;
dbo:iupacName "Butylbenzene"@en ;
dbo:pubchem "7705"^^xsd:int ;
dbo:smiles "CCCCC1=CC=CC=C1" ;
dbp:inchikey "InChIKey=OCKPCBLVNKHBMX-UHFFFAOYSA-N" ;
skos:altLabel "n-butylbenzeen"@nl ;
skos:broader csc:CHEMONTID_0002279 ;
skos:exactMatch wise:CAS_104-51-8 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "C4yBen" ;
skos:prefLabel "butylbenzeen"@nl ;
vcs:vmmParameterId "551"^^xsd:int .
csc:NWIUTZDMDHAVTP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:2369 ;
dbo:casNumber "63659-18-7" ;
dbo:formula "C18H29NO3" ;
dbo:inchi "InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3" ;
dbo:iupacName "1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en ;
dbo:pubchem "2369"^^xsd:int ;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CC2)O" ;
dbp:inchikey "InChIKey=NWIUTZDMDHAVTP-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000139 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "betxll" ;
skos:prefLabel "betaxolol"@nl .
csc:VVAKEQGKZNKUSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept ;
rdfs:seeAlso compound:6893 ;
dbo:casNumber "1300-73-8" , "87-59-2" ;
dbo:formula "C8H11N" ;
dbo:inchi "InChI=1S/C8H11N/c1-6-4-3-5-8(9)7(6)2/h3-5H,9H2,1-2H3" ;
dbo:iupacName "2,3-Dimethylaniline"@en ;
dbo:pubchem "6893"^^xsd:int ;
dbo:smiles "CC1=C(C(=CC=C1)N)C" ;
dbp:inchikey "InChIKey=VVAKEQGKZNKUSU-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0004210 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "23xyldne" ;
skos:prefLabel "2,3-xylidine"@nl .
csc:GKAOGPIIYCISHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound ;
rdfs:seeAlso compound:23935 ;
dbo:casNumber "36826-26-3" , "7440-01-9" , "12794-67-1" , "71928-15-9" ;
dbo:formula "Ne" ;
dbo:inchi "InChI=1S/Ne" ;
dbo:iupacName "NEON"@en ;
dbo:pubchem "23935"^^xsd:int ;
dbo:smiles "[Ne]" ;
dbp:inchikey "InChIKey=GKAOGPIIYCISHV-UHFFFAOYSA-N" ;
skos:broader csc:CHEMONTID_0000433 ;
skos:inScheme vlcs:chemische_stof ;
skos:notation "Ne" ;
skos:prefLabel "neon"@nl .
csc:KWTSXDURSIMDCE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance ;
rdfs:seeAlso compound:3007 ;
dbo:casNumber "300-62-9" ;
dbo:formula "C9H13N" ;
dbo:inchi "InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3" ;
dbo:iupacName "1-phenylpropan-2-amine"@en ;
dbo:pubchem "3007"^^