@prefix tax_nodes: . @prefix vcs: . @prefix xsd: . @prefix skos: . @prefix rdfs: . @prefix list: . @prefix co: . @prefix compound: . @prefix omg_dataset: . @prefix xkos: . @prefix dbo: . @prefix vlcs: . @prefix csc: . @prefix cosc: . @prefix dbp: . @prefix wise: . @prefix dct: . @prefix wk: . @prefix rdf: . @prefix cscl: . @prefix dc: . csc:WGTYBPLFGIVFAS-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:prefLabel "tetramethylammoniumhydroxide"@nl . csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000074 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000074 ; skos:definition "Compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000074" ; skos:prefLabel "Pyridazines and derivatives"@en . csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004113 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004113 ; skos:definition "Organic aromatic compounds containing a monocyclic benzene moiety carrying exactly or one more methoxy groups."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0004113" ; skos:prefLabel "Methoxybenzenes"@en . csc:XRQKNNNAKHZPSP-UHFFFAOYSA-N a 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:CHEMONTID_0002279 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002279 ; skos:definition "Aromatic compounds containing one monocyclic ring system consisting of benzene."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:WRMNZCZEMHIOCP-UHFFFAOYSA-N , csc:BXEHUCNTIZGSOJ-UHFFFAOYSA-N , csc:WLJVXDMOQOGPHL-UHFFFAOYSA-N , csc:PWATWSYOIIXYMA-UHFFFAOYSA-N , csc:ATROHALUCMTWTB-WYMLVPIESA-N , csc:XXOYNJXVWVNOOJ-UHFFFAOYSA-N , csc:UOHMMEJUHBCKEE-UHFFFAOYSA-N , csc:JFSPBVWPKOEZCB-UHFFFAOYSA-N , csc:CAHQGWAXKLQREW-UHFFFAOYSA-N , csc:XAMUDJHXFNRLCY-UHFFFAOYSA-N , csc:LTEQMZWBSYACLV-UHFFFAOYSA-N , csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N , csc:DSNHSQKRULAAEI-UHFFFAOYSA-N , csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N , csc:XBEADGFTLHRJRB-UHFFFAOYSA-N , csc:OTSYFFDVDLHIKX-UHFFFAOYSA-N , csc:KWKXNDCHNDYVRT-UHFFFAOYSA-N , csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N , csc:ZYHJQFMTTFCBKH-UHFFFAOYSA-N , csc:KUCPUSUXIGWHFB-UHFFFAOYSA-N , csc:IZFZCMFMJKDHJZ-UHFFFAOYSA-N , csc:HJWLCRVIBGQPNF-UHFFFAOYSA-N , csc:LBNXAWYDQUGHGX-UHFFFAOYSA-N , csc:XBRCDWHXULVEFB-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:KVGLBTYUCJYMND-UHFFFAOYSA-N , csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N , csc:BFIMMTCNYPIMRN-UHFFFAOYSA-N , csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N , csc:FCXPVFLEDIQLLO-UHFFFAOYSA-N , csc:YFNCATAIYKQPOO-UHFFFAOYSA-N , csc:NRHFWOJROOQKBK-UHFFFAOYSA-N , csc:CSWIKHNSBZVWNQ-UHFFFAOYSA-N , csc:NOOOMJZHMKSKBF-UHFFFAOYSA-N , csc:PHSUVQBHRAWOQD-UHFFFAOYSA-N , csc:AWZOLILCOUMRDG-UHFFFAOYSA-N , csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N , csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N , csc:WAPNOHKVXSQRPX-UHFFFAOYSA-N , csc:SQNZJJAZBFDUTD-UHFFFAOYSA-N , csc:FCOAHACKGGIURQ-UHFFFAOYSA-N , csc:QGHREAKMXXNCOA-UHFFFAOYSA-N , csc:NPAWGLOPXKCTCV-UHFFFAOYSA-N , csc:RJKCKKDSSSRYCB-UHFFFAOYSA-N , csc:AWMVMTVKBNGEAK-UHFFFAOYSA-N , csc:KVNYFPKFSJIPBJ-UHFFFAOYSA-N , csc:XEMRAKSQROQPBR-UHFFFAOYSA-N , csc:AFZZYIJIWUTJFO-UHFFFAOYSA-N , csc:GMAUQNJOSOMMHI-JXAWBTAJSA-N , csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N , csc:SKDNDVDHYMEGNJ-VURMDHGXSA-N , csc:RRPCXIBGXYGQNC-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002279" ; skos:prefLabel "Benzene and substituted derivatives"@en . csc:CHEMONTID_0000053 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000053 ; skos:definition "Organic compounds containing an amino group attached to a quinoline ring system."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000053" ; skos:prefLabel "Aminoquinolines and derivatives"@en . csc:ZJMMPUVJZQBMEM-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0003570 skos:narrower csc:SIGSPDASOTUPFS-KQMXEUTGSA-N , csc:PROQIPRRNZUXQM-ZXXIGWHRSA-N , csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N , csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N , csc:VOXZDWNPVJITMN-SFFUCWETSA-N , csc:GCKFUYQCUCGESZ-KIIRVTSASA-N , csc:VOXZDWNPVJITMN-ZZEXBNFBSA-N , csc:BFPYWIDHMRZLRN-SLHNCBLASA-N , csc:WWYNJERNGUHSAO-XUDSTZEESA-N , csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N . csc:BPFYOAJNDMUVBL-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "C12C16akbzDC" , "benzDC1yC14y" ; skos:prefLabel "benzyldimethyltetradecylammoniumchloride"@nl . csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N a 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:CHEMONTID_0003968 skos:narrower csc:UNAHYJYOSSSJHH-UHFFFAOYSA-N , csc:CLMQUEQFVUMDPC-UHFFFAOYSA-N , csc:LXQOQPGNCGEELI-UHFFFAOYSA-N , csc:ITVQAKZNYJEWKS-UHFFFAOYSA-N , csc:QFUSCYRJMXLNRB-UHFFFAOYSA-N , csc:ZSDSQXJSNMTJDA-UHFFFAOYSA-N , csc:SMDHCQAYESWHAE-UHFFFAOYSA-N , csc:UMKANAFDOQQUKE-UHFFFAOYSA-N , csc:SPNQRCTZKIBOAX-UHFFFAOYSA-N , csc:LHRIICYSGQGXSX-UHFFFAOYSA-N , csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N , csc:MNFMIVVPXOGUMX-UHFFFAOYSA-N , csc:MPBZUKLDHPOCLS-UHFFFAOYSA-N . csc:BRCGUTSVMPKEKH-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "DqDBrH2O" ; skos:prefLabel "diquatdibromide-monohydraat"@nl . csc:RYAUSSKQMZRMAI-ALOPSCKCSA-N a 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:CHEMONTID_0000032 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000032 ; skos:definition "Organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:IRLYGRLEBKCYPY-UHFFFAOYSA-N , csc:SRSXLGNVWSONIS-UHFFFAOYSA-N , csc:ONMOULMPIIOVTQ-UHFFFAOYSA-N , csc:FEPBITJSIHRMRT-UHFFFAOYSA-N , csc:LTPSRQRIPCVMKQ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000032" ; skos:prefLabel "Benzenesulfonic acids and derivatives"@en . csc:GHASVSINZRGABV-UHFFFAOYSA-N a 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:UELITFHSCLAHKR-UHFFFAOYSA-N a 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:KKMLIVYBGSAJPM-UHFFFAOYSA-L a 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:inScheme vlcs:chemische_stof ; skos:notation "propnb" ; skos:prefLabel "propineb"@nl . csc:CHEMONTID_0004150 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004150 ; skos:definition "Derivatives of hydrocarbons obtained by substituting one or more carbon atoms by an heteroatom. They contain at least one carbon atom and heteroatom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:FAOSYNUKPVJLNZ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004150" ; skos:prefLabel "Hydrocarbon derivatives"@en . csc:CHEMONTID_0002799 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002799 ; skos:definition "Organosulfur compounds with the general formula RSSSR' (R,R'=alkyl, aryl)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YWHLKYXPLRWGSE-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002799" ; skos:prefLabel "Organic trisulfides"@en . csc:WMLPCIHUFDKWJU-UHFFFAOYSA-N a 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:CHEMONTID_0000090 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000090 ; skos:definition "Compounds containing a pyrrole ring, which is a five-member aromatic heterocycle with one nitrogen atom and four carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000090" ; skos:prefLabel "Pyrroles"@en . csc:ONXPZLFXDMAPRO-UHFFFAOYSA-N a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "KDC1yDtocbmt" ; skos:prefLabel "kaliumdimethyldithiocarbamaat"@nl . csc:ATJFFYVFTNAWJD-LZFNBGRKSA-N a 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 a 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:CHEMONTID_0000011 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000011 ; skos:definition "Monosaccharides, disaccharides, oligosaccharides, polysaccharides, and their derivatives."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000011" ; skos:prefLabel "Carbohydrates and carbohydrate conjugates"@en . csc:SCCDDNKJYDZXMM-UHFFFAOYSA-N a 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:CHEMONTID_0002863 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002863 ; skos:definition "Vinyl halides in which a chlorine atom is bonded to an sp2-hybridised carbon atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N , csc:CYTYCFOTNPOANT-UHFFFAOYSA-N , csc:PNLQPWWBHXMFCA-UHFFFAOYSA-N , csc:PPKPKFIWDXDAGC-IHWYPQMZSA-N , csc:HIILBTHBHCLUER-IWQZZHSRSA-N , csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N , csc:PXTADLCAVHRXCA-UHFFFAOYSA-N , csc:UOORRWUZONOOLO-UPHRSURJSA-N , csc:UOORRWUZONOOLO-OWOJBTEDSA-N , csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N , csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N , csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N , csc:PPKPKFIWDXDAGC-NSCUHMNNSA-N , csc:ZKRSTHSWOFIHMZ-UHFFFAOYSA-N , csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N , csc:OWXJKYNZGFSVRC-NSCUHMNNSA-N , csc:OWXJKYNZGFSVRC-IHWYPQMZSA-N , csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N , csc:YACLQRRMGMJLJV-UHFFFAOYSA-N , csc:FCMVPUGRXPEIQX-UHFFFAOYSA-N , csc:DAASOABUJRMZAD-UHFFFAOYSA-N , csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N , csc:FALCMQXTWHPRIH-UHFFFAOYSA-N , csc:BIWJNBZANLAXMG-UHFFFAOYSA-N , csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N , csc:KFUSEUYYWQURPO-UPHRSURJSA-N ; skos:notation "CHEMONTID:0002863" ; skos:prefLabel "Vinyl chlorides"@en . csc:QUNWUDVFRNGTCO-UHFFFAOYSA-N a 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:HOBAELRKJCKHQD-QNEBEIHSSA-N a 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 a 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 a 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:CHEMONTID_0002380 skos:narrower csc:FTNJWQUOZFUQQJ-NDAWSKJSSA-N . csc:IFTRQJLVEBNKJK-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "PFOS_K" ; skos:prefLabel "perfluoroctaansulfonaat, kaliumzout"@nl . csc:CHEMONTID_0004527 skos:narrower csc:VXIVSQZSERGHQP-UHFFFAOYSA-N . csc:CHEMONTID_0000552 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000552 ; skos:definition "Inorganic compounds in which the heaviest atom bonded to a hydrogen atom is belongs to the class of 'other non-metals'."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YZCKVEUIGOORGS-UHFFFAOYSA-N , csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N ; skos:notation "CHEMONTID:0000552" ; skos:prefLabel "Other non-metal hydrides"@en . csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0004670 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004670 ; skos:definition "Aromatic compounds that contain a phenol ether, which carries an amine group on the benzene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:XCZCWGVXRBJCCD-UHFFFAOYSA-N , csc:BHAAPTBBJKJZER-UHFFFAOYSA-N , csc:VMPITZXILSNTON-UHFFFAOYSA-N , csc:XPKFTIYOZUJAGA-UHFFFAOYSA-N , csc:FDJQHYWUHGBBTO-UHFFFAOYSA-N , csc:XQVCBOLNTSUFGD-UHFFFAOYSA-N , csc:WXWCDTXEKCVRRO-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004670" ; skos:prefLabel "Aminophenyl ethers"@en . csc:YPJUNDFVDDCYIH-UHFFFAOYSA-N a 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 a 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:QNVRIHYSUZMSGM-UHFFFAOYSA-N a 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:ARUVKPQLZAKDPS-UHFFFAOYSA-L a 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:inScheme vlcs:chemische_stof ; skos:notation "CuSO4" ; skos:prefLabel "kopersulfaat"@nl . csc:LGRFSURHDFAFJT-UHFFFAOYSA-N a 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:MKXKFYHWDHIYRV-UHFFFAOYSA-N a 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:OMPJBNCRMGITSC-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0003899 skos:narrower csc:YSXKPIUOCJLQIE-UHFFFAOYSA-N , csc:RQEUFEKYXDPUSK-UHFFFAOYSA-N , csc:INGSNVSERUZOAK-UHFFFAOYSA-N , csc:HWHLPVGTWGOCJO-UHFFFAOYSA-N , csc:GGWBHVILAJZWKJ-KJEVSKRMSA-N . csc:YRSSHOVRSMQULE-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0000446 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000446 ; skos:definition "Inorganic oxoanionic compounds in which the heaviest atom not in an oxoanion is an alkaline earth metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000446" ; skos:prefLabel "Alkaline earth metal oxoanionic compounds"@en . csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000510 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000510 ; skos:definition "Organic compounds containing the functional group with the general structure R-CS-NR'R, where R, R', and R are organic groups."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YUKQRDCYNOVPGJ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000510" ; skos:prefLabel "Thioamides"@en . csc:CHEMONTID_0003480 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003480 ; skos:definition "Compound containing an ester derivative of cinnamic acid."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YBGZDTIWKVFICR-JLHYYAGUSA-N ; skos:notation "CHEMONTID:0003480" ; skos:prefLabel "Cinnamic acid esters"@en . csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0004479 skos:narrower csc:OXOZHAWWRPCVGL-UHFFFAOYSA-N . csc:DWAQJAXMDSEUJJ-UHFFFAOYSA-L a 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:inScheme vlcs:chemische_stof ; skos:notation "NaHSO3" ; skos:prefLabel "natriumwaterstofsulfiet"@nl . csc:CTRLABGOLIVAIY-UHFFFAOYSA-N a 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:CHEMONTID_0002253 skos:narrower csc:RLQJEEJISHYWON-UHFFFAOYSA-N . csc:JZRCRCFPVAXHHQ-UHFFFAOYSA-N a 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:CHEMONTID_0001026 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001026 ; skos:definition "Organic compounds containing the alkyl chloride functional group with formula R-Cl , where R is an alkyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001026" ; skos:prefLabel "Alkyl chlorides"@en . csc:CHEMONTID_0000425 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000425 ; skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:TVFDJXOCXUVLDH-OUBTZVSYSA-N , csc:IGLNJRXAVVLDKE-OUBTZVSYSA-N , csc:KEAYESYHFKHZAL-BJUDXGSMSA-N , csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N , csc:KLMCZVJOEAUDNE-UHFFFAOYSA-N , csc:KLMCZVJOEAUDNE-IGMARMGPSA-N , csc:ZLMJMSJWJFRBEC-OUBTZVSYSA-N , csc:TVFDJXOCXUVLDH-RNFDNDRNSA-N , csc:IGLNJRXAVVLDKE-UHFFFAOYSA-N , csc:TVFDJXOCXUVLDH-UHFFFAOYSA-N , csc:WHXSMMKQMYFTQS-UHFFFAOYSA-N , csc:FKNQFGJONOIPTF-UHFFFAOYSA-N , csc:TVFDJXOCXUVLDH-BJUDXGSMSA-N , csc:TVFDJXOCXUVLDH-AKLPVKDBSA-N ; skos:notation "CHEMONTID:0000425" ; skos:prefLabel "Homogeneous alkali metal compounds"@en . csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N a 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:CHEMONTID_0002800 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002800 ; skos:definition "Organosulfur compounds with the general formula RSSR' (R,R' = alkyl, aryl)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002800" ; skos:prefLabel "Organic disulfides"@en . csc:LFSAPCRASZRSKS-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000398 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000398 ; skos:definition "Compounds having two beta-haloalkyl groups bound to a nitrogen atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:HAWPXGHAZFHHAD-UHFFFAOYSA-N , csc:CMSMOCZEIVJLDB-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000398" ; skos:prefLabel "Nitrogen mustard compounds"@en . csc:DXJURUJRANOYMX-UHFFFAOYSA-L a 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:inScheme vlcs:chemische_stof ; skos:notation "TFlC1asfzr" ; skos:prefLabel "trifluormethaansulfonzuur"@nl . csc:HXWHIGAHMKKVBV-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "PFOA_Ag" ; skos:prefLabel "perfluoroctaanzuur, zilver(1plus)zout (1-1)"@nl . csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N a 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 a 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 a 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:QVLAWKAXOMEXPM-UHFFFAOYSA-N a 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:JWBOIMRXGHLCPP-UHFFFAOYSA-N a 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:CIOAGBVUUVVLOB-OUBTZVSYSA-N a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "fenmnsf" ; skos:prefLabel "fenaminosulf"@nl . csc:JNRLEMMIVRBKJE-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000462 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000462 ; skos:definition "Organic compounds containing a bond between a carbon atom and metal atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000462" ; skos:prefLabel "Organometallic compounds"@en . csc:CVHZOJJKTDOEJC-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "metNa" ; skos:prefLabel "metham-natrium"@nl . csc:GUTLYIVDDKVIGB-OIOBTWANSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0002126 skos:narrower csc:XJKSTNDFUHDPQJ-UHFFFAOYSA-N . csc:SFNPDDSJBGRXLW-UITAMQMPSA-N a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "fostl" ; skos:prefLabel "fosetyl"@nl . csc:UAEPNZWRGJTJPN-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0003815 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003815 ; skos:definition "Glycerolipids that carry exactly three acyl chains attached to the glycerol moiety."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003815" ; skos:prefLabel "Triradylcglycerols"@en . csc:FMJSMJQBSVNSBF-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000356 skos:narrower csc:ZIUSSTSXXLLKKK-KOBPDPAPSA-N . csc:FARBQUXLIQOIDY-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "DODMAC" ; skos:prefLabel "dioctyldimethylammoniumchloride"@nl . csc:PMZURENOXWZQFD-UHFFFAOYSA-L a 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:inScheme vlcs:chemische_stof ; skos:notation "NaSO4" ; skos:prefLabel "natriumsulfaat"@nl . csc:CMCJNODIWQEOAI-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0004474 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004474 ; skos:definition "Hydrocarbons that contains only saturated carbon atoms, which are linked to one another through single bonds. These includes alkanes and cycloalkanes."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0004474" ; skos:prefLabel "Saturated hydrocarbons"@en . csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N a 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 a 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:VMSRVIHUFHQIAL-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "NaDC1yDtocbm" ; skos:prefLabel "natriumdimethyldithiocarbamaat"@nl . csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M a 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: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:CHEMONTID_0001498 skos:narrower csc:WQZGKKKJIJFFOK-UHFFFAOYSA-N , csc:VJHCJDRQFCCTHL-UHFFFAOYSA-N , csc:GZCGUPFRVQAUEE-SLPGGIOYSA-N . csc:OZDGMOYKSFPLSE-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000420 skos:narrower csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N , csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N , csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N , csc:HGUFODBRKLSHSI-UHFFFAOYSA-N , csc:FSPZPQQWDODWAU-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N . csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "manczb" ; skos:prefLabel "mancozeb"@nl . csc:JGKJMBOJWVAMIJ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "C2yebDtocbmt" , "nabm" ; skos:prefLabel "nabam"@nl . csc:UHGULLIUJBCTEF-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0003205 skos:narrower csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N . csc:KFSLACSYHBJOPS-UHFFFAOYSA-N a 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:CHEMONTID_0000229 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000229 ; skos:definition "Heterocyclic compounds containing a five-member unsaturated aliphatic ring with one nitrogen atom, one sulfur atom, three carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:JUIQOABNSLTJSW-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000229" ; skos:prefLabel "Thiazolines"@en . csc:FITIWKDOCAUBQD-UHFFFAOYSA-N a 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 a 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:VBCVPMMZEGZULK-NRFANRHFSA-N a 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:LNDUTAIPEYOCDF-UHFFFAOYSA-N a 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:PZBPKYOVPCNPJY-UHFFFAOYSA-N a 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:CHEMONTID_0000372 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000372 ; skos:definition "Compounds containing the fentanyl moiety or a derivative, which is based on a N-(1-(2-phenylethyl)-4-piperidinyl)-N-phenylpropanamide skeleton."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PJMPHNIQZUBGLI-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000372" ; skos:prefLabel "Fentanyls"@en . csc:NFGXHKASABOEEW-LDRANXPESA-N a 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 a 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:CHEMONTID_0004347 skos:narrower csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N . csc:JQRZBPFGBRIWSN-YOTVLOEGSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000208 skos:narrower csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N , csc:BGRDGMRNKXEXQD-UHFFFAOYSA-N . csc:IOUNQDKNJZEDEP-UHFFFAOYSA-N a 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:CHEMONTID_0004809 skos:narrower csc:QCAHVKJGHYVLIS-UHFFFAOYSA-N , csc:BULLHNJGPPOUOX-UHFFFAOYSA-N . csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002100 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002100 ; skos:definition "Organic compounds containing a benzene ring fused to a dioxin ring. Dioxin a six-membered unsaturated ring of two oxygen atoms and four carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002100" ; skos:prefLabel "Benzodioxins"@en . csc:DTDSAWVUFPGDMX-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "metrm" , "zinb" ; skos:prefLabel "metiram"@nl . csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N a 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:CHEMONTID_0000330 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000330 ; skos:definition "Compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:UVCJGUGAGLDPAA-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000330" ; skos:prefLabel "Phenylbenzimidazoles"@en . csc:KSQXVLVXUFHGJQ-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "NaoFyfnt" ; skos:prefLabel "natrium-ortho-fenylfenaat"@nl . csc:WEAYCYAIVOIUMG-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000245 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000245 ; skos:definition "Aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000245" ; skos:prefLabel "Purines and purine derivatives"@en . csc:FALCMQXTWHPRIH-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000224 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000224 ; skos:definition "Cyclic organic compounds containing a thiadiazine ring, which is a six-member unsaturated heterocycle made up of one sulfur atom and two nitrogen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000224" ; skos:prefLabel "Thiadiazines"@en . csc:WABPQHHGFIMREM-BKFZFHPZSA-N a 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:CHEMONTID_0003194 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003194 ; skos:definition "Organic compounds containing a C[Si] bond."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003194" ; skos:prefLabel "Organosilicon compounds"@en . csc:BCTQJXQXJVLSIG-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000139 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000139 ; skos:definition "Compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N , csc:CUKXSBOAIJILRY-UHFFFAOYSA-N , csc:ITKAIUGKVKDENI-UHFFFAOYSA-N , csc:NWIUTZDMDHAVTP-UHFFFAOYSA-N , csc:YGULWPYYGQCFMP-CEAXSRTFSA-N ; skos:notation "CHEMONTID:0000139" ; skos:prefLabel "Tyrosols and derivatives"@en . csc:GDLIGKIOYRNHDA-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002514 skos:narrower csc:YGSDEFSMJLZEOE-UHFFFAOYSA-N . csc:CHEMONTID_0000282 skos:narrower csc:RZPAKFUAFGMUPI-QESOVKLGSA-N , csc:ACTOXUHEUCPTEW-JMRHEKERSA-N , csc:JTSDBFGMPLKDCD-SWSPHLSKSA-N , csc:HSZLKTCKAYXVBX-DCAGQSADSA-N , csc:SRJQTHAZUNRMPR-UYQKXTDMSA-N , csc:YKAVHPRGGAUFDN-JTQLBUQXSA-N , csc:ACTOXUHEUCPTEW-KWBWCIJSSA-N , csc:WBPYTXDJUQJLPQ-VMXQISHHSA-N , csc:RDECBWLKMPEKPM-PSCJHHPTSA-N , csc:MQTOSJVFKKJCRP-OHJWJPDZSA-N , csc:GCKZANITAMOIAR-XWVCPFKXSA-N , csc:ICVKYYINQHWDLM-YLNALPTESA-N , csc:RLPCJGKQKFMBEI-UOBLTHIJSA-N , csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N , csc:VWAMTBXLZPEDQO-FWEXOAGLSA-N , csc:AGOYDEPGAOXOCK-KCBOHYOISA-N , csc:RXZBMPWDPOLZGW-KMAKEOJNSA-N , csc:ZPCCSZFPOXBNDL-RSMXASMKSA-N . csc:CHEMONTID_0002031 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002031 ; skos:definition "Sterol lipids with a structure based on the stigmastane skeleton, which consists of a cholestane moiety bearing an ethyl group at the carbon atom C24."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:KZJWDPNRJALLNS-VJSFXXLFSA-N ; skos:notation "CHEMONTID:0002031" ; skos:prefLabel "Stigmastanes and derivatives"@en . csc:FSSPGSAQUIYDCN-UHFFFAOYSA-N a 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 a 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:PQYJRMFWJJONBO-UHFFFAOYSA-N a 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:HDZGCSFEDULWCS-UHFFFAOYSA-N a 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:BVKZGUZCCUSVTD-UHFFFAOYSA-M a 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: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 a 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 a 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 a 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 a 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:CHEMONTID_0004321 skos:narrower csc:XUIIKFGFIJCVMT-UHFFFAOYSA-N . csc:VOZKAJLKRJDJLL-UHFFFAOYSA-N a 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:GZCRRIHWUXGPOV-UHFFFAOYSA-N a 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:UWTUEMKLYAGTNQ-UPHRSURJSA-N a 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:QLHULAHOXSSASE-UHFFFAOYSA-N a 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:DQWPFSLDHJDLRL-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000118 skos:narrower csc:XNLICIUVMPYHGG-UHFFFAOYSA-N , csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N , csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N , csc:KYWIYKKSMDLRDC-UHFFFAOYSA-N , csc:FVUGZKDGWGKCFE-UHFFFAOYSA-N , csc:CSCPPACGZOOCGX-UHFFFAOYSA-N , csc:HXVNBWAKAOHACI-UHFFFAOYSA-N , csc:RHLVCLIPMVJYKS-UHFFFAOYSA-N , csc:IEDKVDCIEARIIU-UHFFFAOYSA-N , csc:FDPIMTJIUBPUKL-UHFFFAOYSA-N , csc:UIHCLUNTQKBZGK-UHFFFAOYSA-N , csc:QQZOPKMRPOGIEB-UHFFFAOYSA-N , csc:FFWSICBKRCICMR-UHFFFAOYSA-N , csc:NGAZZOYFWWSOGK-UHFFFAOYSA-N , csc:NTIZESTWPVYFNL-UHFFFAOYSA-N , csc:HYTRYEXINDDXJK-UHFFFAOYSA-N . csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000261 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000261 ; skos:definition "Organic compounds that are synthesized either from the amino acid phenylalanine (phenylpropanoids) or the decarboxylative condensation of malonyl-CoA (polyketides). Phenylpropanoids are aromatic compounds based on the phenylpropane skeleton. Polyketides usually consist of alternating carbonyl and methylene groups (beta-polyketones), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000261" ; skos:prefLabel "Phenylpropanoids and polyketides"@en . csc:VXLYOURCUVQYLN-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0002010 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002010 ; skos:definition "Compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:FEVBMCJUKWWWBT-BNIOFCGNSA-N , csc:CJIASZBWXIFQMU-ZVXOBQGSSA-N , csc:ZYZCGGRZINLQBL-GWRQVWKTSA-N , csc:SIGQAYSWORHPPH-GFXLLRAPSA-N , csc:WLWITBHAANNFHV-YNYQYFAYSA-N , csc:DIAQQISRBBDJIM-DRSCAGMXSA-N ; skos:notation "CHEMONTID:0002010" ; skos:prefLabel "Hybrid peptides"@en . csc:SIGQAYSWORHPPH-GFXLLRAPSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000176 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000176 ; skos:definition "Organic compounds containing a carboxylic acid substituent attached to a benzene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PASDCCFISLVPSO-UHFFFAOYSA-N , csc:QCAWEPFNJXQPAN-UHFFFAOYSA-N , csc:AQIHMSVIAGNIDM-UHFFFAOYSA-N , csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000176" ; skos:prefLabel "Benzoic acids and derivatives"@en . csc:ZOTBXTZVPHCKPN-HTXNQAPBSA-N a 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 a 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 a 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:CHEMONTID_0004777 skos:narrower csc:YLKFDHTUAUWZPQ-UHFFFAOYSA-N , csc:YGJHZCLPZAZIHH-UHFFFAOYSA-N , csc:WBNQDOYYEUMPFS-UHFFFAOYSA-N , csc:UMFJAHHVKNCGLG-UHFFFAOYSA-N , csc:RTDCJKARQCRONF-UHFFFAOYSA-N , csc:AWZVYNHQGTZJIH-UHFFFAOYSA-N . csc:PDQAZBWRQCGBEV-UHFFFAOYSA-N a 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:CHEMONTID_0002551 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002551 ; skos:definition "Compounds with a structure containing a benzene ring conjugated to a propanoic acid."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:OIRFJRBSRORBCM-UHFFFAOYSA-N , csc:HEFNNWSXXWATRW-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002551" ; skos:prefLabel "Phenylpropanoic acids"@en . csc:LLMLGZUZTFMXSA-UHFFFAOYSA-N a 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 a 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 a 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:UNEATYXSUBPPKP-UHFFFAOYSA-N a 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:QXAITBQSYVNQDR-UHFFFAOYSA-N a 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:CHEMONTID_0002949 skos:narrower csc:ZTSDOGSKTICNPQ-UHFFFAOYSA-N , csc:QIQXTHQIDYTFRH-UHFFFAOYSA-N , csc:KEMQGTRYUADPNZ-UHFFFAOYSA-N , csc:XSXIVVZCUAHUJO-HZJYTTRNSA-N , csc:TUNFSRHWOTWDNC-UHFFFAOYSA-N , csc:HOBAELRKJCKHQD-QNEBEIHSSA-N , csc:SECPZKHBENQXJG-BQYQJAHWSA-N , csc:SZHOJFHSIKHZHA-UHFFFAOYSA-N , csc:WQEPLUUGTLDZJY-UHFFFAOYSA-N , csc:IPCSVZSSVZVIGE-UHFFFAOYSA-N , csc:LVDGGZAZAYHXEY-UHFFFAOYSA-N , csc:ZQPPMHVWECSIRJ-MDZDMXLPSA-N , csc:JAZBEHYOTPTENJ-JLNKQSITSA-N , csc:OJMBMWRMTMHMSZ-UHFFFAOYSA-N , csc:AHANXAKGNAKFSK-IUQGRGSQSA-N , csc:RUDINRUXCKIXAJ-UHFFFAOYSA-N , csc:VKOBVWXKNCXXDE-UHFFFAOYSA-N , csc:YWWVWXASSLXJHU-WAYWQWQTSA-N , csc:YZXBAPSDXZZRGB-CGRWFSSPSA-N , csc:CKDDRHZIAZRDBW-UHFFFAOYSA-N . csc:BKVIYDNLLOSFOA-RNFDNDRNSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0002466 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002466 ; skos:definition "Organic heterocyclic compounds containing an oxazaphosphinane ring, which consists of three carbon atoms, one nitrogen atom, and one phosphorus atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002466" ; skos:prefLabel "Oxazaphosphinanes"@en . csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0004215 skos:narrower csc:NKTOLZVEWDHZMU-UHFFFAOYSA-N . csc:AWZOLILCOUMRDG-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004756 skos:narrower csc:CIEXPHRYOLIQQD-UHFFFAOYSA-N . csc:LMYRWZFENFIFIT-UHFFFAOYSA-N a 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:CHEMONTID_0001303 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001303 ; skos:definition "Organic compounds containing the thiophosphoric acid functional group or a derivative thereof, with the general structure RP(R')(R'')=S, where R,R',R'' = O,N, halogen residue."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001303" ; skos:prefLabel "Organic thiophosphoric acids and derivatives"@en . csc:WLWITBHAANNFHV-YNYQYFAYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "ClO2" , "ClDO" ; skos:prefLabel "chloordioxide"@nl . csc:XXIDKSWYSYEFAG-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0002445 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002445 ; skos:definition "Organic acids with the general formula OOC(R)=O (R = H, organyl group)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002445" ; skos:prefLabel "Peroxycarboxylic acids and derivatives"@en . csc:FRCHKSNAZZFGCA-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000134 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000134 ; skos:definition "Compounds containing a phenol moiety, which is a benzene bearing a hydroxyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000134" ; skos:prefLabel "Phenols"@en . csc:YNEVBPNZHBAYOA-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0004735 skos:narrower csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N , csc:MGLWZSOBALDPEK-UHFFFAOYSA-N , csc:IROINLKCQGIITA-UHFFFAOYSA-N , csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N , csc:HCRWJJJUKUVORR-UHFFFAOYSA-N , csc:DDUIUBPJPOKOMV-UHFFFAOYSA-N , csc:AFIIBUOYKYSPKB-UHFFFAOYSA-N , csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N . csc:CHEMONTID_0000049 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000049 ; skos:definition "Compounds containing a tametraline moiety, which consists of a tetrahydronaphthalene linked to a phenyl group to form N-methyl-4-phenyl-1,2,3,4-tetrahydronaphthalen-1-amine skeleton."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VGKDLMBJGBXTGI-SJCJKPOMSA-N ; skos:notation "CHEMONTID:0000049" ; skos:prefLabel "Tametralines"@en . csc:QDNMBJXNLJFNHT-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0003566 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003566 ; skos:definition "Steroids with a structure containing the 27-carbon cholestane skeleton."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:SFBMPHLOQAKIBY-HXHCRBPZSA-N , csc:DTGDZMYNKLTSKC-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0003566" ; skos:prefLabel "Cholestane steroids"@en . csc:QQINRWTZWGJFDB-UHFFFAOYSA-N a 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:CHEMONTID_0000113 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000113 ; skos:definition "Compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:NJVHCUNZAMFQNA-UHFFFAOYSA-N , csc:JOVOSQBPPZZESK-UHFFFAOYSA-N , csc:MIVUDWFNUOXEJM-UHFFFAOYSA-N , csc:YBQZXXMEJHZYMB-UHFFFAOYSA-N , csc:UBUCNCOMADRQHX-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000113" ; skos:prefLabel "Phenylhydrazines"@en . csc:NHOWDZOIZKMVAI-UHFFFAOYSA-N a 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:CHEMONTID_0004714 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004714 ; skos:definition "Ester derivatives of phenylcarbamic acids."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VBCVPMMZEGZULK-NRFANRHFSA-N , csc:VXPLXMJHHKHSOA-UHFFFAOYSA-N , csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N , csc:AMRQXHFXNZFDCH-VIFPVBQESA-N , csc:MCOQHIWZJUDQIC-UHFFFAOYSA-N , csc:FFQQCJGNKKIRMD-UHFFFAOYSA-N , csc:LNJNFVJKDJYTEU-UHFFFAOYSA-N , csc:WOZQBERUBLYCEG-UHFFFAOYSA-N , csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N , csc:WZJZMXBKUWKXTQ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004714" ; skos:prefLabel "Phenylcarbamic acid esters"@en . csc:OBLNWSCLAYSJJR-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0003630 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003630 ; skos:definition "Electrically neutral organic molecules carrying a positive and a negative charge in one of their major canonical descriptions. In most dipolar compounds the charges are delocalized; however the term is also applied to species where this is not the case. The term 1,3-dipolar compounds is used for those in which a significant canonical resonance form can be represented by a separation of charge over three atoms (in connection with 1,3-dipolar cycloadditions)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003630" ; skos:prefLabel "Organic 1,3-dipolar compounds"@en . csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:IOXAXYHXMLCCJJ-UHFFFAOYSA-N a 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:CHEMONTID_0004210 skos:narrower csc:VVAKEQGKZNKUSU-UHFFFAOYSA-N , csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N , csc:SBUYFICWQNHBCM-UHFFFAOYSA-N , csc:KNHJIEOCVVIBIV-UHFFFAOYSA-N , csc:DOLQYFPDPKPQSS-UHFFFAOYSA-N , csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N . csc:DCUJJWWUNKIJPH-UHFFFAOYSA-N a 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:CHEMONTID_0001234 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001234 ; skos:definition "Organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:MZSJGCPBOVTKHR-UHFFFAOYSA-N , csc:LGDSHSYDSCRFAB-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001234" ; skos:prefLabel "Isothiocyanates"@en . csc:DERZBLKQOCDDDZ-JLHYYAGUSA-N a 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 a 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 a 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:CHEMONTID_0001149 skos:narrower csc:UUGLSEIATNSHRI-UHFFFAOYSA-N . csc:GKLVYJBZJHMRIY-BJUDXGSMSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000548 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000548 ; skos:definition "Inorganic compounds in which the heaviest atom bonded to a hydrogen atom is a halogen."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:XMBWDFGMSWQBCA-BJUDXGSMSA-N , csc:XMBWDFGMSWQBCA-YPZZEJLDSA-N , csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N , csc:XMBWDFGMSWQBCA-NJFSPNSNSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000548" ; skos:prefLabel "Halogen hydrides"@en . csc:JFPVXVDWJQMJEE-SWWZKJRFSA-N a 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:CHEMONTID_0001292 skos:narrower csc:ODZTXUXIYGJLMC-UHFFFAOYSA-N . csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0002838 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002838 ; skos:definition "Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class of olefins subsumes alkenes and cycloalkenes and the corresponding polyenes."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002838" ; skos:prefLabel "Olefins"@en . csc:OIZXRZCQJDXPFO-UHFFFAOYSA-N a 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:REJHVSOVQBJEBF-OWOJBTEDSA-N a 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:JFALSRSLKYAFGM-UHFFFAOYSA-N a 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:DOIRQSBPFJWKBE-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0002902 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002902 ; skos:definition "A group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:SPBDXSGPUHCETR-MVGRHBATSA-N , csc:YZBLFMPOMVTDJY-BFPKLJSTSA-N , csc:VOZIAWLUULBIPN-DFYAAVTESA-N , csc:ZLBGSRMUSVULIE-SJRQICMCSA-N ; skos:notation "CHEMONTID:0002902" ; skos:prefLabel "Milbemycins"@en . csc:KTWOOEGAPBSYNW-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004162 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004162 ; skos:definition "Organic compounds containing an indole moiety that carries a hydroxyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:JHFAEUICJHBVHB-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004162" ; skos:prefLabel "Hydroxyindoles"@en . csc:ZDLMBNHYTPHDLF-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0002334 skos:narrower csc:FKLFBQCQQYDUAM-UHFFFAOYSA-N , csc:CWFOCCVIPCEQCK-UHFFFAOYSA-N . csc:STVZJERGLQHEKB-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N a 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:NIKBCKTWWPVAIC-UHFFFAOYSA-N a 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 a 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 a 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:SRSXLGNVWSONIS-UHFFFAOYSA-N a 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:BZHJMEDXRYGGRV-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000023 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000023 ; skos:definition "Compounds containing a naphthalene moiety, which consists of two fused benzene rings."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:OQRMWUNUKVUHQO-UHFFFAOYSA-N , csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N , csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N , csc:CMWTZPSULFXXJA-UHFFFAOYSA-N , csc:ZEUITGRIYCTCEM-KRWDZBQOSA-N , csc:JXTHEWSKYLZVJC-UHFFFAOYSA-N , csc:HAXBIWFMXWRORI-UHFFFAOYSA-N , csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N , csc:QPUYECUOLPXSFR-UHFFFAOYSA-N , csc:YJMNOKOLADGBKA-UHFFFAOYSA-N , csc:CBMXCNPQDUJNHT-UHFFFAOYSA-N , csc:YPXOPAFVVHXQDP-ZZEZOPTASA-N , csc:AFOVBPMGZPJPKX-UHFFFAOYSA-N , csc:GWLLTEXUIOFAFE-UHFFFAOYSA-N , csc:PRPINYUDVPFIRX-UHFFFAOYSA-N , csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N , csc:ZMXIYERNXPIYFR-UHFFFAOYSA-N , csc:XFNJVKMNNVCYEK-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:APQSQLNWAIULLK-UHFFFAOYSA-N , csc:WXZVAROIGSFCFJ-UHFFFAOYSA-N , csc:RUFPHBVGCFYCNW-UHFFFAOYSA-N , csc:QIMMUPPBPVKWKM-UHFFFAOYSA-N , csc:LUZDYPLAQQGJEA-UHFFFAOYSA-N , csc:WWGUMAYGTYQSGA-UHFFFAOYSA-N , csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N , csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N , csc:PYZSVQVRHDXQSL-UHFFFAOYSA-N , csc:ZMRUPTIKESYGQW-UHFFFAOYSA-N , csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N , csc:ZONYAPYTDIVJGG-VLGSPTGOSA-N ; skos:notation "CHEMONTID:0000023" ; skos:prefLabel "Naphthalenes"@en . csc:HOPMUCXYRNOABF-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000081 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000081 ; skos:definition "Heterocyclic organic compounds containing an isoxazole moiety, with a structure characterized by a five-member aromatic ring with one oxygen atom and one nitrogen atom at ring positions 1 and 2, respectively."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:KGVPNLBXJKTABS-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000081" ; skos:prefLabel "Isoxazoles"@en . csc:HZEBHPIOVYHPMT-OUBTZVSYSA-N a 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 a 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:CHEMONTID_0004682 skos:narrower csc:VGHPMIFEKOFHHQ-UHFFFAOYSA-N . csc:SSIZLKDLDKIHEV-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0003455 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003455 ; skos:definition "Organic compounds containing a sulfate group that carries one or two O-ester groups."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003455" ; skos:prefLabel "Sulfuric acid esters"@en . csc:CHEMONTID_0002228 skos:narrower csc:HPNMFZURTQLUMO-UHFFFAOYSA-N , csc:IQDGSYLLQPDQDV-UHFFFAOYSA-N , csc:UAOMVDZJSHZZME-UHFFFAOYSA-N , csc:CWYZDPHNAGSFQB-UHFFFAOYSA-N , csc:RPNUMPOLZDHAAY-UHFFFAOYSA-N , csc:OKRJGUKZYSEUOY-UHFFFAOYSA-N , csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N , csc:VILCJCGEZXAXTO-UHFFFAOYSA-N , csc:JQVDAXLFBXTEQA-UHFFFAOYSA-N , csc:FAGUFWYHJQFNRV-UHFFFAOYSA-N , csc:LSHROXHEILXKHM-UHFFFAOYSA-N , csc:WEHWNAOGRSTTBQ-UHFFFAOYSA-N , csc:OBYVIBDTOCAXSN-UHFFFAOYSA-N . csc:LMNZTLDVJIUSHT-UHFFFAOYSA-N a 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:CHEMONTID_0000002 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000002 ; skos:definition "Compounds containing a ring with least one carbon atom and one non-carbon atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:JMYWPEQXUQGQNF-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000002" ; skos:prefLabel "Organoheterocyclic compounds"@en . csc:DVBJBNKEBPCGSY-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:prefLabel "hexadecylpyridinium"@nl . csc:CHEMONTID_0004603 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004603 ; skos:definition "Organic compounds that contain one or more oxygen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0004603" ; skos:prefLabel "Organic oxygen compounds"@en . csc:CIFWZNRJIBNXRE-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0002769 skos:narrower csc:FAXWFCTVSHEODL-UHFFFAOYSA-N , csc:BSWWXRFVMJHFBN-UHFFFAOYSA-N . csc:NLXLAEXVIDQMFP-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000060 skos:narrower csc:HYHJOUPYTUBFIX-UHFFFAOYSA-N , csc:YIKSCQDJHCMVMK-UHFFFAOYSA-N , csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N , csc:CLQMBPJKHLGMQK-UHFFFAOYSA-N , csc:LMVPQMGRYSRMIW-KRWDZBQOSA-N , csc:OXHDYFKENBXUEM-UHFFFAOYSA-N , csc:NUPJIGQFXCQJBK-UHFFFAOYSA-N , csc:XVOKUMIPKHGGTN-UHFFFAOYSA-N , csc:ZEKANFGSDXODPD-UHFFFAOYSA-N , csc:XDDAORKBJWWYJS-UHFFFAOYSA-N , csc:HYJSGOXICXYZGS-UHFFFAOYSA-N , csc:RXVCHKFNBPFYCC-UHFFFAOYSA-N . csc:PPKPKFIWDXDAGC-IHWYPQMZSA-N a 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 . cscl:class a xkos:ClassificationLevel ; xkos:depth "3"^^xsd:positiveInteger ; skos:definition "Classes typically consist of more spe-cific chemical categories with more specific and recogniz-able structural features (pyrimidine nucleosides, flavanols, benzazepines, actinide salts). Chemical Classes usually contain >100,000 known compounds. "@en ; skos:inScheme vlcs:chemische_stof ; skos:member csc:CHEMONTID_0000305 , csc:CHEMONTID_0001506 , csc:CHEMONTID_0002693 , csc:CHEMONTID_0000429 , csc:CHEMONTID_0000436 , csc:CHEMONTID_0002490 , csc:CHEMONTID_0000134 , csc:CHEMONTID_0001515 , csc:CHEMONTID_0002865 , csc:CHEMONTID_0002566 , csc:CHEMONTID_0000315 , csc:CHEMONTID_0000301 , csc:CHEMONTID_0002506 , csc:CHEMONTID_0002868 , csc:CHEMONTID_0004659 , csc:CHEMONTID_0000089 , csc:CHEMONTID_0002648 , csc:CHEMONTID_0000295 , csc:CHEMONTID_0004475 , csc:CHEMONTID_0000029 , csc:CHEMONTID_0000428 , csc:CHEMONTID_0001157 , csc:CHEMONTID_0000453 , csc:CHEMONTID_0001198 , csc:CHEMONTID_0000446 , csc:CHEMONTID_0004441 , csc:CHEMONTID_0000058 , csc:CHEMONTID_0000107 , csc:CHEMONTID_0002118 , csc:CHEMONTID_0002285 , csc:CHEMONTID_0000025 , csc:CHEMONTID_0001523 , csc:CHEMONTID_0001346 , csc:CHEMONTID_0003385 , csc:CHEMONTID_0002389 , csc:CHEMONTID_0002100 , csc:CHEMONTID_0000458 , csc:CHEMONTID_0000020 , csc:CHEMONTID_0000233 , csc:CHEMONTID_0004788 , csc:CHEMONTID_0000426 , csc:CHEMONTID_0002867 , csc:CHEMONTID_0003094 , csc:CHEMONTID_0000090 , csc:CHEMONTID_0001510 , csc:CHEMONTID_0000461 , csc:CHEMONTID_0002650 , csc:CHEMONTID_0000106 , csc:CHEMONTID_0000238 , csc:CHEMONTID_0003631 , csc:CHEMONTID_0004436 , csc:CHEMONTID_0000430 , csc:CHEMONTID_0004144 , csc:CHEMONTID_0000259 , csc:CHEMONTID_0000018 , csc:CHEMONTID_0004189 , csc:CHEMONTID_0000103 , csc:CHEMONTID_0000425 , csc:CHEMONTID_0002279 , csc:CHEMONTID_0000130 , csc:CHEMONTID_0000510 , csc:CHEMONTID_0000019 , csc:CHEMONTID_0000491 , csc:CHEMONTID_0000175 , csc:CHEMONTID_0002319 , csc:CHEMONTID_0000459 , csc:CHEMONTID_0001516 , csc:CHEMONTID_0000224 , csc:CHEMONTID_0000368 , csc:CHEMONTID_0004484 , csc:CHEMONTID_0000048 , csc:CHEMONTID_0003633 , csc:CHEMONTID_0001209 , csc:CHEMONTID_0000455 , csc:CHEMONTID_0003940 , csc:CHEMONTID_0002466 , csc:CHEMONTID_0000021 , csc:CHEMONTID_0004812 , csc:CHEMONTID_0001983 , csc:CHEMONTID_0000364 , csc:CHEMONTID_0000480 , csc:CHEMONTID_0004524 , csc:CHEMONTID_0002528 , csc:CHEMONTID_0002749 , csc:CHEMONTID_0000050 , csc:CHEMONTID_0003260 , csc:CHEMONTID_0001253 , csc:CHEMONTID_0001862 , csc:CHEMONTID_0000265 , csc:CHEMONTID_0001370 , csc:CHEMONTID_0000442 , csc:CHEMONTID_0000294 , csc:CHEMONTID_0004474 , csc:CHEMONTID_0003412 , csc:CHEMONTID_0004149 , csc:CHEMONTID_0000427 , csc:CHEMONTID_0001859 , csc:CHEMONTID_0000445 , csc:CHEMONTID_0000454 , csc:CHEMONTID_0000076 , csc:CHEMONTID_0001396 , csc:CHEMONTID_0003909 , csc:CHEMONTID_0000293 , csc:CHEMONTID_0000027 , csc:CHEMONTID_0000097 , csc:CHEMONTID_0000389 , csc:CHEMONTID_0002754 , csc:CHEMONTID_0001234 , csc:CHEMONTID_0003370 , csc:CHEMONTID_0001850 , csc:CHEMONTID_0000444 , csc:CHEMONTID_0000419 , csc:CHEMONTID_0000278 , csc:CHEMONTID_0000437 , csc:CHEMONTID_0000302 , csc:CHEMONTID_0000023 , csc:CHEMONTID_0000402 , csc:CHEMONTID_0001270 , csc:CHEMONTID_0000296 , csc:CHEMONTID_0002491 , csc:CHEMONTID_0002799 , csc:CHEMONTID_0001853 , csc:CHEMONTID_0000463 , csc:CHEMONTID_0002866 , csc:CHEMONTID_0000456 , csc:CHEMONTID_0000433 , csc:CHEMONTID_0002507 , csc:CHEMONTID_0002485 , csc:CHEMONTID_0001816 , csc:CHEMONTID_0000064 , csc:CHEMONTID_0000145 , csc:CHEMONTID_0004502 , csc:CHEMONTID_0002323 , csc:CHEMONTID_0001465 , csc:CHEMONTID_0001614 , csc:CHEMONTID_0001797 , csc:CHEMONTID_0002106 , csc:CHEMONTID_0000181 , csc:CHEMONTID_0002341 , csc:CHEMONTID_0004434 , csc:CHEMONTID_0001729 , csc:CHEMONTID_0001819 , csc:CHEMONTID_0000309 , csc:CHEMONTID_0001202 , csc:CHEMONTID_0002012 , csc:CHEMONTID_0001187 , csc:CHEMONTID_0002338 , csc:CHEMONTID_0000432 , csc:CHEMONTID_0001438 , csc:CHEMONTID_0001303 , csc:CHEMONTID_0000039 , csc:CHEMONTID_0002800 , csc:CHEMONTID_0000476 , csc:CHEMONTID_0002551 , csc:CHEMONTID_0000253 , csc:CHEMONTID_0000147 , csc:CHEMONTID_0000435 , csc:CHEMONTID_0000311 , csc:CHEMONTID_0001455 , csc:CHEMONTID_0000323 , csc:CHEMONTID_0000211 , csc:CHEMONTID_0001851 , csc:CHEMONTID_0000472 , csc:CHEMONTID_0000431 , csc:CHEMONTID_0000159 , csc:CHEMONTID_0003934 , csc:CHEMONTID_0001813 , csc:CHEMONTID_0000317 , csc:CHEMONTID_0000098 , csc:CHEMONTID_0001518 , csc:CHEMONTID_0000756 , csc:CHEMONTID_0000434 , csc:CHEMONTID_0004477 , csc:CHEMONTID_0000218 , csc:CHEMONTID_0000123 , csc:CHEMONTID_0000307 , csc:CHEMONTID_0000457 , csc:CHEMONTID_0000403 , csc:CHEMONTID_0003886 , csc:CHEMONTID_0001443 , csc:CHEMONTID_0003467 , csc:CHEMONTID_0002679 , csc:CHEMONTID_0001517 , csc:CHEMONTID_0000195 , csc:CHEMONTID_0000460 , csc:CHEMONTID_0000160 , csc:CHEMONTID_0002955 , csc:CHEMONTID_0000258 ; skos:prefLabel "Klasse"@nl . csc:CHEMONTID_0000458 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000458 ; skos:definition "Inorganic compounds belonging either to the post-transition metal hydrides, post-transition metal nitrides, post-transition metal oxides, or the post-transition metal sulfides."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000458" ; skos:prefLabel "Post-transition metal organides"@en . csc:LLEMOWNGBBNAJR-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002207 skos:narrower csc:JARYYMUOCXVXNK-CSLFJTBJSA-N , csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N , csc:CZMRCDWAGMRECN-UGDNZRGBSA-N . csc:TUBQDCKAWGHZPF-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000522 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000522 ; skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an actinide."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZCUFMDLYAMJYST-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000522" ; skos:prefLabel "Actinide oxides"@en . csc:NJKDOADNQSYQEV-UHFFFAOYSA-N a 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 a 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 a 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:PWKSKIMOESPYIA-UHFFFAOYSA-N a 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:FSGTULQLEVAYRS-UHFFFAOYSA-N a 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:OGJPXUAPXNRGGI-UHFFFAOYSA-N a 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:CHEMONTID_0004640 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004640 ; skos:definition "Aromatic compounds containing a methylcarbamic acid esterified with a phenyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:MYPKGPZHHQEODQ-UHFFFAOYSA-N , csc:DTAPQAJKAFRNJB-UHFFFAOYSA-N , csc:IOPTXXRNXCPJGO-UHFFFAOYSA-N , csc:VOEYXMAFNDNNED-UHFFFAOYSA-N , csc:DIRFUJHNVNOBMY-UHFFFAOYSA-N , csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N , csc:CVQODEWAPZVVBU-UHFFFAOYSA-N , csc:HEZNVIYQEUHLNI-UHFFFAOYSA-N , csc:RJBJMKAMQIOAML-UHFFFAOYSA-N , csc:YNEVBPNZHBAYOA-UHFFFAOYSA-N , csc:OMOLDRXZKFFGJI-UHFFFAOYSA-N , csc:FNCMBMZOZQAWJA-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004640" ; skos:prefLabel "Phenyl methylcarbamates"@en . csc:CHEMONTID_0001664 skos:narrower csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N , csc:YRMLFORXOOIJDR-UHFFFAOYSA-N , csc:VZRKEAFHFMSHCD-UHFFFAOYSA-N , csc:NZMAJUHVSZBJHL-UHFFFAOYSA-N , csc:KZAUOCCYDRDERY-UITAMQMPSA-N , csc:KIDWGGCIROEJJW-GQCTYLIASA-N , csc:FXHOOIRPVKKKFG-UHFFFAOYSA-N . csc:CHEMONTID_0003413 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003413 ; skos:definition "Organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 1-position."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003413" ; skos:prefLabel "1-benzothiopyrans"@en . csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N a 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:CHEMONTID_0000437 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000437 ; skos:definition "Inorganic compounds containing 'other non-metals' and halogen."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:SFZCNBIFKDRMGX-UHFFFAOYSA-N , csc:NLXLAEXVIDQMFP-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000437" ; skos:prefLabel "Other non-metal halides"@en . csc:UXTIAFYTYOEQHV-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "DODAC" ; skos:prefLabel "dimethyldioctadecylammoniumchloride"@nl . csc:HGCIXCUEYOPUTN-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004072 skos:narrower csc:XMHKTINRBAKEDS-UHFFFAOYSA-N , csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N . csc:CHEMONTID_0001096 skos:narrower csc:HNXNKTMIVROLTK-UHFFFAOYSA-N , csc:AOMUHOFOVNGZAN-UHFFFAOYSA-N . csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N a 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:CHEMONTID_0003954 skos:narrower csc:HFDOVSPQVPECFP-UHFFFAOYSA-N , csc:HMBBJSKXDBUNNT-UHFFFAOYSA-N , csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N , csc:HQJQYILBCQPYBI-UHFFFAOYSA-N , csc:UXOOFXUEODCAIP-UHFFFAOYSA-N , csc:PALAXWMMBSLIDB-UHFFFAOYSA-N , csc:OELBLPCWLAWABI-UHFFFAOYSA-N , csc:IMEYSCIEAFLSQJ-UHFFFAOYSA-N , csc:AQPHBYQUCKHJLT-UHFFFAOYSA-N , csc:BVGDXTYHVRFEQZ-UHFFFAOYSA-N , csc:PBFOWFPZALCTIY-UHFFFAOYSA-N . csc:YXEOEPYIBGTLML-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000501 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000501 ; skos:definition "Organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:QWDQYHPOSSHSAW-UHFFFAOYSA-N , csc:RRAMGCGOFNQTLD-UHFFFAOYSA-N , csc:NIMLQBUJDJZYEJ-UHFFFAOYSA-N , csc:HAMGRBXTJNITHG-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000501" ; skos:prefLabel "Isocyanates"@en . csc:NUMQCACRALPSHD-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "acFfNazt" ; skos:prefLabel "acifluorfen-natriumzout"@nl . csc:XLJMAIOERFSOGZ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000474 skos:narrower csc:XZWYZXLIPXDOLR-UHFFFAOYSA-N . csc:CHEMONTID_0002223 skos:narrower csc:FPYJFEHAWHCUMM-UHFFFAOYSA-N . csc:GJRQTCIYDGXPES-UHFFFAOYSA-N a 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:QUKOJKFJIHSBKV-UHFFFAOYSA-N a 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:MQXQVCLAUDMCEF-CWLIKTDRSA-N a 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:PFURGBBHAOXLIO-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0000389 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000389 ; skos:definition "Organic compounds containing a ketone group and a carboxylic acid group."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000389" ; skos:prefLabel "Keto acids and derivatives"@en . csc:HAORKNGNJCEJBX-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0004513 skos:narrower csc:XAIPTRIXGHTTNT-UHFFFAOYSA-N , csc:UISUNVFOGSJSKD-UHFFFAOYSA-N , csc:RYLHNOVXKPXDIP-UHFFFAOYSA-N , csc:RGNPBRKPHBKNKX-UHFFFAOYSA-N , csc:QQQYTWIFVNKMRW-UHFFFAOYSA-N . csc:BAZVSMNPJJMILC-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0002679 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002679 ; skos:definition "Compounds containing an ergoline moiety, which is structurally characterized by he presence of a 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg] quinoline."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002679" ; skos:prefLabel "Ergoline and derivatives"@en . csc:CHEMONTID_0000453 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000453 ; skos:definition "Inorganic compounds belonging to either of the other non-metal Hydrides, other non-metal nitrides, other non-metal oxides, or the other non-metal sulfides."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000453" ; skos:prefLabel "Other non-metal organides"@en . csc:RJTJVVYSTUQWNI-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002202 skos:narrower csc:DQMZLTXERSFNPB-UHFFFAOYSA-N . csc:VJJPUSNTGOMMGY-MRVIYFEKSA-N a 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:CHEMONTID_0000368 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000368 ; skos:definition "Compounds containing a dioxane ring, which is a six-membered saturated ring of two oxygen atoms and four carbon atoms. The dioxanes are divided in 1,2-dioxanes, 1,3-dioxanes, and 1,4-dioxanes."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000368" ; skos:prefLabel "Dioxanes"@en . csc:CIEXPHRYOLIQQD-UHFFFAOYSA-N a 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:CHEMONTID_0003970 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003970 ; skos:definition "Organic compounds containing a pyridine ring substituted at one or more positions by a halogen atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003970" ; skos:prefLabel "Halopyridines"@en . csc:NVKAWKQGWWIWPM-ABEVXSGRSA-N a 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 a 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:CHEMONTID_0001516 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001516 ; skos:definition "Compounds containing a chemical bond between a carbon atom and a chlorine atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:KNKRKFALVUDBJE-UHFFFAOYSA-N , csc:VHHHONWQHHHLTI-UHFFFAOYSA-N , csc:HFFLGKNGCAIQMO-UHFFFAOYSA-N , csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N , csc:VFWCMGCRMGJXDK-UHFFFAOYSA-N , csc:GRSQYISVQKPZCW-UHFFFAOYSA-N , csc:OHXAOPZTJOUYKM-UHFFFAOYSA-N , csc:YEHHNHSVUHPNNT-UHFFFAOYSA-N , csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N , csc:BNIXVQGCZULYKV-UHFFFAOYSA-N , csc:MFESCIUQSIBMSM-UHFFFAOYSA-N , csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N , csc:WBEJYOJJBDISQU-UHFFFAOYSA-N , csc:SQCZQTSHSZLZIQ-UHFFFAOYSA-N , csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:SCYULBFZEHDVBN-UHFFFAOYSA-N , csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N , csc:FQDIANVAWVHZIR-OWOJBTEDSA-N , csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N , csc:CLWAXFZCVYJLLM-UHFFFAOYSA-N , csc:KJDRSWPQXHESDQ-UHFFFAOYSA-N , csc:HRYZWHHZPQKTII-UHFFFAOYSA-N , csc:WIHMGGWNMISDNJ-UHFFFAOYSA-N , csc:SNMVRZFUUCLYTO-UHFFFAOYSA-N , csc:DAIIXVPKQATIMF-UHFFFAOYSA-N , csc:BULHJTXRZFEUDQ-UHFFFAOYSA-N , csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N , csc:YAYNEUUHHLGGAH-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:DNYWXJPIRSNXIP-UHFFFAOYSA-N , csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N , csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001516" ; skos:prefLabel "Organochlorides"@en . csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000432 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000432 ; skos:definition "Inorganic non-metallic compounds in which the largest atom is a nobel gas."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PNDPGZBMCMUPRI-HVTJNCQCSA-N , csc:PXGOKWXKJXAPGV-UHFFFAOYSA-N , csc:RYXHOMYVWAEKHL-UHFFFAOYSA-N , csc:KZBUYRJDOAKODT-UHFFFAOYSA-N , csc:PNDPGZBMCMUPRI-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000432" ; skos:prefLabel "Homogeneous halogens"@en . csc:YXTRCOAFNXQTKL-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "fomsfn" ; skos:prefLabel "fomesafen"@nl . csc:CHEMONTID_0001091 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001091 ; skos:definition "Compounds containing a benzene ring which bears a methane group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:TZOVOULUMXXLOJ-UHFFFAOYSA-N , csc:JRLPEMVDPFPYPJ-UHFFFAOYSA-N , csc:ZLCSFXXPPANWQY-UHFFFAOYSA-N , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:HYFLWBNQFMXCPA-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001091" ; skos:prefLabel "Toluenes"@en . csc:HCDGVLDPFQMKDK-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000490 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000490 ; skos:definition "Organic compounds containing a sulfonyl group with the structure R-S(=O)2-R', where R' is an urea."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000490" ; skos:prefLabel "Sulfonylureas"@en . csc:QXKPLNCZSFACPU-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0003864 skos:narrower csc:QUWSDLYBOVGOCW-UHFFFAOYSA-N , csc:ICNFHJVPAJKPHW-UHFFFAOYSA-N . csc:JCXGWMGPZLAOME-BKFZFHPZSA-N a 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:CHEMONTID_0000411 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000411 ; skos:definition "Compounds containing the oxime functional group, with the general structure R1(R2)C=NOH."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000411" ; skos:prefLabel "Oximes"@en . csc:NJPPVKZQTLUDBO-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001553 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001553 ; skos:definition "Terpene molecules containing six isoprene units."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N , csc:WQLVFSAGQJTQCK-VKROHFNGSA-N ; skos:notation "CHEMONTID:0001553" ; skos:prefLabel "Triterpenoids"@en . csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N a 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:CHEMONTID_0000326 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000326 ; skos:definition "Organic compounds containing two pyridine rings linked to each other."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:INFDPOAKFNIJBF-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000326" ; skos:prefLabel "Bipyridines and oligopyridines"@en . csc:KNHUKKLJHYUCFP-UHFFFAOYSA-N a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "penclnV" ; skos:prefLabel "penicilline v"@nl . csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N a 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:CHEMONTID_0002695 skos:narrower csc:XUKUURHRXDUEBC-KAYWLYCHSA-N . csc:OYEHPCDNVJXUIW-VENIDDJXSA-N a 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:CHEMONTID_0001468 skos:narrower csc:UWFYSQMTEOIJJG-FDTZYFLXSA-N , csc:TZIZWYVVGLXXFV-FLRHRWPCSA-N , csc:RJKFOVLPORLFTN-LEKSSAKUSA-N , csc:ILKJAFIWWBXGDU-WRRBAOOESA-N , csc:FRQMUZJSZHZSGN-HBNHAYAOSA-N , csc:FNPXMHRZILFCKX-UHFFFAOYSA-N , csc:FAOZLTXFLGPHNG-KNAQIMQKSA-N , csc:CBGUOGMQLZIXBE-XGQKBEPLSA-N . csc:GUAWMXYQZKVRCW-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "manm" ; skos:prefLabel "manam"@nl . csc:HEFNNWSXXWATRW-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000305 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000305 ; skos:definition "Compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000305" ; skos:prefLabel "Pyrazolopyrimidines"@en . csc:CHEMONTID_0000299 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000299 ; skos:definition "Hydroxy acids with a 6 to 12 carbon atoms long side chain."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:TUZYXOIXSAXUGO-PZAWKZKUSA-N ; skos:notation "CHEMONTID:0000299" ; skos:prefLabel "Medium-chain hydroxy acids and derivatives"@en . csc:VIIZJXNVVJKISZ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000363 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000363 ; skos:definition "Organic compounds containing the cyanate functional group with the formula [OCN]-."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:XLJMAIOERFSOGZ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000363" ; skos:prefLabel "Cyanates"@en . csc:UCKMPCXJQFINFW-UHFFFAOYSA-N a 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 a 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 a 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 a 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 . list:class a rdf:List ; rdf:first cscl:class ; rdf:rest list:subclass ; skos:prefLabel "Niveau klasse"@nl . csc:CHEMONTID_0000278 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000278 ; skos:definition "Organic compounds containing a nitrogen atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000278" ; skos:prefLabel "Organonitrogen compounds"@en . csc:YWBVHLJPRPCRSD-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "NaI" ; skos:prefLabel "natriumjodide"@nl . csc:VIKNJXKGJWUCNN-XGXHKTLJSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "DDBAB" ; skos:prefLabel "dodecyldimethylbenzylammoniumbromide"@nl . csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "C16ylTC1ylNH" ; skos:prefLabel "hexadecyltrimethylammoniumchloride"@nl . csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "gaddamde" ; skos:prefLabel "gadodiamide"@nl . csc:CHEMONTID_0002547 skos:narrower csc:NFQIYHPAGNZAOO-UHFFFAOYSA-N . csc:RECUKUPTGUEGMW-UHFFFAOYSA-N a 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:FWWQKRXKHIRPJY-UHFFFAOYSA-N a 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:CHEMONTID_0000321 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000321 ; skos:definition "Organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:BTFQKIATRPGRBS-UHFFFAOYSA-N , csc:HUMNYLRZRPPJDN-UHFFFAOYSA-N , csc:GISVICWQYMUPJF-UHFFFAOYSA-N , csc:ZRSNZINYAWTAHE-UHFFFAOYSA-N , csc:OVWYEQOVUDKZNU-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000321" ; skos:prefLabel "Benzoyl derivatives"@en . csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "benzxnuCl" ; skos:prefLabel "benzoxoniumchloride"@nl . csc:LWHQXUODFPPQTL-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "PFOA_Na" ; skos:prefLabel "perfluoroctaanzuur, natriumzout"@nl . csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "Naf136TsfntN" ; skos:prefLabel "naftaleen-1,3,6-trisulfonaat,natriumzout"@nl . csc:CHEMONTID_0002611 skos:narrower csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N , csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N , csc:MRUDNSFOFOQZDA-UHFFFAOYSA-N , csc:HSSBORCLYSCBJR-UHFFFAOYSA-N , csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N . csc:YERASKROMPMIBM-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "halOxfp" ; skos:prefLabel "haloxyfop"@nl . csc:ODLMAHJVESYWTB-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000294 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000294 ; skos:definition "Organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:FGXWKSZFVQUSTL-UHFFFAOYSA-N , csc:UYJUZNLFJAWNEZ-UHFFFAOYSA-N , csc:WJCNZQLZVWNLKY-UHFFFAOYSA-N , csc:VNENJHUOPQAPAT-UHFFFAOYSA-N , csc:BEZZFPOZAYTVHN-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000294" ; skos:prefLabel "Benzimidazoles"@en . csc:YNJBWRMUSHSURL-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001925 skos:narrower csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N , csc:ZZUFCTLCJUWOSV-UHFFFAOYSA-N , csc:QKLPUVXBJHRFQZ-UHFFFAOYSA-N , csc:JNMRHUJNCSQMMB-UHFFFAOYSA-N , csc:QPPBRPIAZZHUNT-UHFFFAOYSA-N , csc:XOXHILFPRYWFOD-UHFFFAOYSA-N , csc:PJSFRIWCGOHTNF-UHFFFAOYSA-N , csc:SEEPANYCNGTZFQ-UHFFFAOYSA-N , csc:VACCAVUAMIDAGB-UHFFFAOYSA-N , csc:ASWVTGNCAZCNNR-UHFFFAOYSA-N , csc:GECHUMIMRBOMGK-UHFFFAOYSA-N , csc:VLYWMPOKSSWJAL-UHFFFAOYSA-N , csc:ZZORFUFYDOWNEF-UHFFFAOYSA-N , csc:VGPYEHKOIGNJKV-UHFFFAOYSA-N . csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000215 skos:narrower csc:YZIYKJHYYHPJIB-UUPCJSQJSA-N . csc:BOSMZFBHAYFUBJ-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0001357 skos:narrower csc:XOJVVFBFDXDTEG-UHFFFAOYSA-N , csc:GGYKPYDKXLHNTI-UHFFFAOYSA-N , csc:BOTWFXYSPFMFNR-PYDDKJGSSA-N , csc:BOTWFXYSPFMFNR-HMMYKYKNSA-N , csc:AJAKLDUGVSKVDG-UHFFFAOYSA-N . csc:XSXWOBXNYNULJG-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0001983 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001983 ; skos:definition "Compounds containing a dihydrofuran moiety, which is a furan derivative with only one double bond."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:WXFWXFIWDGJRSC-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001983" ; skos:prefLabel "Dihydrofurans"@en . csc:CHEMONTID_0000756 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000756 ; skos:definition "Organic polycyclic compounds containing an imidazole ring fused to a thiazole ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Thiazole is a 6-membered ring that contains both sulfur and nitrogen."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:LAZPBGZRMVRFKY-HNCPQSOCSA-N ; skos:notation "CHEMONTID:0000756" ; skos:prefLabel "Imidazothiazoles"@en . csc:GUCVJGMIXFAOAE-OUBTZVSYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000188 skos:narrower csc:YPKBVWZHVTZSPU-UHFFFAOYSA-N , csc:USBWBBAUWVUJLA-UHFFFAOYSA-N , csc:URDNHJIVMYZFRT-UHFFFAOYSA-N , csc:TWXDDNPPQUTEOV-UHFFFAOYSA-N , csc:SGZRQMALQBXAIQ-UHFFFAOYSA-N , csc:MYWUZJCMWCOHBA-VIFPVBQESA-N , csc:KWTSXDURSIMDCE-UHFFFAOYSA-N , csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N , csc:GHGCUYKTGPFCTK-LZOIJMLOSA-N . csc:UNAHYJYOSSSJHH-UHFFFAOYSA-N a 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:CHEMONTID_0001819 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001819 ; skos:definition "Polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001819" ; skos:prefLabel "Isoindoles and derivatives"@en . csc:CHEMONTID_0004789 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004789 ; skos:definition "Aromatic heterocyclic compounds containing a benzene ring fused to a diazine ring. The diazine ring is an analogue of benzene, where two carbon atoms are replaced by nitrogen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0004789" ; skos:prefLabel "Benzodiazines"@en . csc:YWFWDNVOPHGWMX-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "1C16yprdnClH" ; skos:prefLabel "1-hexadecylpyridinium chloride monohydraat"@nl . csc:CHEMONTID_0003626 skos:narrower csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N , csc:SUPCQIBBMFXVTL-UHFFFAOYSA-N , csc:SOGAXMICEFXMKE-UHFFFAOYSA-N , csc:GNSFRPWPOGYVLO-UHFFFAOYSA-N . csc:NWBJYWHLCVSVIJ-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0002542 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002542 ; skos:definition "Aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PZBPKYOVPCNPJY-UHFFFAOYSA-N , csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N , csc:RXXCIBALSKQCAE-UHFFFAOYSA-N , csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N , csc:MCCACAIVAXEFAL-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002542" ; skos:prefLabel "Benzylethers"@en . csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N a 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 a 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:RCFAHSGZAAFQJH-UHFFFAOYSA-N a 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:CKDDRHZIAZRDBW-UHFFFAOYSA-N a 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:CHEMONTID_0003058 skos:narrower csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N . csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N a 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:VUNCWTMEJYMOOR-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0001373 skos:narrower csc:LXOFYPKXCSULTL-UHFFFAOYSA-N , csc:CEBKHWWANWSNTI-UHFFFAOYSA-N . csc:WFDXOXNFNRHQEC-GHRIWEEISA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001920 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001920 ; skos:definition "Compounds containing a triazine ring which bears a ketone group a carbon atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YRIZYWQGELRKNT-UHFFFAOYSA-N , csc:NZUPFZNVGSWLQC-UHFFFAOYSA-N , csc:KOMNUTZXSVSERR-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001920" ; skos:prefLabel "Triazinones"@en . csc:MLUCVPSAIODCQM-NSCUHMNNSA-N a 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:CHEMONTID_0002436 skos:narrower csc:STNJBCKSHOAVAJ-UHFFFAOYSA-N , csc:MLUCVPSAIODCQM-NSCUHMNNSA-N , csc:MLUCVPSAIODCQM-IHWYPQMZSA-N , csc:HGINCPLSRVDWNT-UHFFFAOYSA-N . csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N a 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:CHEMONTID_0001209 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001209 ; skos:definition "Organic compounds containing the thiourea functional group, a derivative of urea with the general structure (R1(N)R2C(=S)(R3)R4, R1-R4=H, alkyl, aryl), obtained by replacing the carbonyl group of urea with a thiocarbonyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:UMGDCJDMYOKAJW-UHFFFAOYSA-N , csc:JIRRNZWTWJGJCT-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001209" ; skos:prefLabel "Thioureas"@en . csc:CHEMONTID_0000210 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000210 ; skos:definition "Compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:UJOBWOGCFQCDNV-UHFFFAOYSA-N , csc:STJXCDGCXVZHDU-UHFFFAOYSA-N , csc:GNPUIRFDBYALRI-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000210" ; skos:prefLabel "Carbazoles"@en . csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "ZnCl" ; skos:prefLabel "zinkchloride"@nl . csc:IVJISJACKSSFGE-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0003095 skos:narrower csc:ZESRJSPZRDMNHY-YFWFAHHUSA-N , csc:MFYSYFVPBJMHGN-ZPOLXVRWSA-N , csc:JYGXADMDTFJGBT-VWUMJDOOSA-N , csc:YNDXUCZADRHECN-JNQJZLCISA-N , csc:GFNANZIMVAIWHM-OBYCQNJPSA-N , csc:VOVIALXJUBGFJZ-VXKMTNQYSA-N , csc:VHRSUDSXCMQTMA-PJHHCJLFSA-N , csc:VWVSBHGCDBMOOT-OKPPOTDYSA-N , csc:UREBDLICKHMUKA-DVTGEIKXSA-N , csc:OIGNJSKKLXVSLS-VWUMJDOOSA-N , csc:XOFYZVNMUHMLCC-ZPOLXVRWSA-N , csc:UREBDLICKHMUKA-CXSFZGCWSA-N , csc:IJLXLZGJDSJGIQ-BILPMHSYSA-N , csc:MKPDWECBUAZOHP-AFYJWTTESA-N , csc:XSFJVAJPIHIPKU-XWCQMRHXSA-N , csc:PQSUYGKTWSAVDQ-ZVIOFETBSA-N . csc:SATCULPHIDQDRE-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002500 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002500 ; skos:definition "Acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:IGGUPRCHHJZPBS-UHFFFAOYSA-N , csc:OTMSDBZUPAUEDD-UHFFFAOYSA-N , csc:RSJKGSCJYJTIGS-UHFFFAOYSA-N , csc:LQERIDTXQFOHKA-UHFFFAOYSA-N , csc:VLKZOEOYAKHREP-UHFFFAOYSA-N , csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N , csc:SNRUBQQJIBEYMU-UHFFFAOYSA-N , csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N , csc:QHMGJGNTMQDRQA-UHFFFAOYSA-N , csc:YKNWIILGEFFOPE-UHFFFAOYSA-N , csc:VNWKTOKETHGBQD-UHFFFAOYSA-N , csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N , csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N , csc:HMSWAIKSFDFLKN-UHFFFAOYSA-N , csc:SUJUOAZFECLBOA-UHFFFAOYSA-N , csc:POOSGDOYLQNASK-UHFFFAOYSA-N , csc:JXTPJDDICSTXJX-UHFFFAOYSA-N , csc:IJDNQMDRQITEOD-UHFFFAOYSA-N , csc:VNWKTOKETHGBQD-OUBTZVSYSA-N , csc:VNWKTOKETHGBQD-NJFSPNSNSA-N , csc:FIGVVZUWCLSUEI-UHFFFAOYSA-N , csc:FNAZRRHPUDJQCJ-UHFFFAOYSA-N , csc:TVMXDCGIABBOFY-UHFFFAOYSA-N , csc:ZYURHZPYMFLWSH-UHFFFAOYSA-N , csc:CBFCDTFDPHXCNY-UHFFFAOYSA-N , csc:RZJRJXONCZWCBN-UHFFFAOYSA-N , csc:DCAYPVUWAIABOU-UHFFFAOYSA-N , csc:KUPLEGDPSCCPJI-UHFFFAOYSA-N , csc:KMXFZRSJMDYPPG-UHFFFAOYSA-N , csc:VHQQPFLOGSTQPC-UHFFFAOYSA-N , csc:BKIMMITUMNQMOS-UHFFFAOYSA-N , csc:NDJKXXJCMXVBJW-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002500" ; skos:prefLabel "Alkanes"@en . csc:CHEMONTID_0002494 skos:narrower csc:UGNWTBMOAKPKBL-UHFFFAOYSA-N , csc:PXSOHRWMIRDKMP-UHFFFAOYSA-N , csc:AZQWKYJCGOJGHM-UHFFFAOYSA-N . csc:SNIOPGDIGTZGOP-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001893 skos:narrower csc:NBQCNZYJJMBDKY-UHFFFAOYSA-N , csc:GHASVSINZRGABV-UHFFFAOYSA-N , csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N . csc:GDIIPKWHAQGCJF-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0001814 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001814 ; skos:definition "Compounds containing a phenylphosphine, which consists of phosphine substituent bound to a phenyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PEGCITODQASXKH-UHFFFAOYSA-N , csc:VYNGFCUGSYEOOZ-UHFFFAOYSA-N , csc:RIOQSEWOXXDEQQ-UHFFFAOYSA-N , csc:FIQMHBFVRAXMOP-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001814" ; skos:prefLabel "Phenylphosphines and derivatives"@en . csc:ZWRUINPWMLAQRD-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0000098 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000098 ; skos:definition "Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000098" ; skos:prefLabel "Triazines"@en . csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001729 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001729 ; skos:definition "Compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VYKLRWGPNUVKNC-AATRIKPKSA-N ; skos:notation "CHEMONTID:0001729" ; skos:prefLabel "Oxepanes"@en . csc:OJGMBLNIHDZDGS-UHFFFAOYSA-N a 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:CHEMONTID_0004705 skos:narrower csc:ZTYVMAQSHCZXLF-UHFFFAOYSA-N , csc:RBSXHDIPCIWOMG-UHFFFAOYSA-N , csc:NSWAMPCUPHPTTC-UHFFFAOYSA-N , csc:NIFKBBMCXCMCAO-UHFFFAOYSA-N , csc:MAHPNPYYQAIOJN-UHFFFAOYSA-N , csc:IOXAXYHXMLCCJJ-UHFFFAOYSA-N , csc:HICJAEZEEBOKGV-UHFFFAOYSA-N . csc:GEPDYQSQVLXLEU-AATRIKPKSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "FeSO4" ; skos:prefLabel "ijzer(ii)sulfaat"@nl . csc:JDRFUUBRGGDEIZ-UHFFFAOYSA-N a 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:CHEMONTID_0000019 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000019 ; skos:definition "Compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:KRMDCWKBEZIMAB-UHFFFAOYSA-N , csc:JJCFRYNCJDLXIK-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000019" ; skos:prefLabel "Dibenzocycloheptenes"@en . csc:IZUKQUVSCNEFMJ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000162 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000162 ; skos:definition "Organic compounds containing a four-member lactam (a cyclic amide)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000162" ; skos:prefLabel "Beta lactams"@en . csc:YFVOXLJXJBQDEF-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "TC1yC18yNH4B" ; skos:prefLabel "trimethyloctadecylammonium bromide"@nl . csc:CHEMONTID_0002309 skos:narrower csc:HBJOXQRURQPDEX-MHXMMLMNSA-N . csc:CHEMONTID_0004280 skos:narrower csc:ORLOBEXOFQEWFQ-UHFFFAOYSA-N . csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0003053 skos:narrower csc:BZFBDUQOBQHBSZ-BJRTZXQSSA-N . csc:POAOYUHQDCAZBD-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004201 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004201 ; skos:definition "Compound containing a triazole ring fused to the benzene or the thiazole moiety of the benzothiazole ring system."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:DQJCHOQLCLEDLL-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004201" ; skos:prefLabel "Triazolobenzothiazoles"@en . csc:VIROVYVQCGLCII-UHFFFAOYSA-N a 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:RQNWIZPPADIBDY-YPZZEJLDSA-N a 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:LOQQVLXUKHKNIA-UHFFFAOYSA-N a 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:XLROVYAPLOFLNU-NJFSPNSNSA-N a 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 a 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:CHEMONTID_0001851 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001851 ; skos:definition "Compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ALRLPDGCPYIVHP-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:BZCXQYVNASLLQO-UHFFFAOYSA-N , csc:BIJNHUAPTJVVNQ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001851" ; skos:prefLabel "Pyrenes"@en . csc:STJLVHWMYQXCPB-UHFFFAOYSA-N a 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:CHEMONTID_0003600 skos:narrower csc:YAIKCRUPEVOINQ-UHFFFAOYSA-N , csc:XTEGVFVZDVNBPF-UHFFFAOYSA-N , csc:PSZYNBSKGUBXEH-UHFFFAOYSA-N . csc:ANUCHZVCBDOPOX-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000141 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000141 ; skos:definition "Compounds containing a nitrophenol moiety, which consists of a benzene ring bearing both a hydroxyl group and a nitro group on two different ring carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:IQUPABOKLQSFBK-UHFFFAOYSA-N , csc:RTZZCYNQPHTPPL-UHFFFAOYSA-N , csc:OXNIZHLAWKMVMX-UHFFFAOYSA-N , csc:SYDNSSSQVSOXTN-UHFFFAOYSA-N , csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000141" ; skos:prefLabel "Nitrophenols"@en . csc:YREQHYQNNWYQCJ-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0004742 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004742 ; skos:definition "Aromatic compounds contaning a phenoxy group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N , csc:QYMMJNLHFKGANY-UHFFFAOYSA-N , csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N , csc:AUQAUAIUNJIIEP-UHFFFAOYSA-N , csc:ANIAQSUBRGXWLS-UHFFFAOYSA-N , csc:SDKQRNRRDYRQKY-UHFFFAOYSA-N , csc:PWYIUEFFPNVCMW-UHFFFAOYSA-N , csc:ZNRZGJAHNMGWQN-UHFFFAOYSA-N , csc:JXHJNEJVUNHLKO-UHFFFAOYSA-N , csc:IMIDOCRTMDIQIJ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004742" ; skos:prefLabel "Phenoxy compounds"@en . csc:YZCKVEUIGOORGS-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "4DC1yAoprdne" ; skos:prefLabel "4-dimethylaminopyridine"@nl . csc:TYMLOMAKGOJONV-UHFFFAOYSA-N a 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:CHEMONTID_0000056 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000056 ; skos:definition "Compounds containing a quinoline moiety which bears a ketone group."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000056" ; skos:prefLabel "Quinolones and derivatives"@en . csc:SIXSYDAISGFNSX-UHFFFAOYSA-N a 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:IMRYETFJNLKUHK-UHFFFAOYSA-N a 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:FNPXMHRZILFCKX-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001198 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001198 ; skos:definition "Organic compounds containing a functional group with the general structure R1C(=S)R2 (R1, R2=H, alkyl, aryl)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001198" ; skos:prefLabel "Thiocarbonyl compounds"@en . csc:CHEMONTID_0001204 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001204 ; skos:definition "Organic compounds containing the phosphoric acid amide functional group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:GNOIPBMMFNIUFM-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001204" ; skos:prefLabel "Organic phosphoramides"@en . csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N a 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 a 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 a 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:YFNCATAIYKQPOO-UHFFFAOYSA-N a 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:CHEMONTID_0003573 skos:narrower csc:PGBHMTALBVVCIT-VCIWKGPPSA-N . csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N a 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:PWYIUEFFPNVCMW-UHFFFAOYSA-N a 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:CHEMONTID_0002346 skos:narrower csc:PLGQWYOULXPJRE-UHFFFAOYSA-N . csc:LBCZOTMMGHGTPH-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0000120 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000120 ; skos:definition "Organic compounds containing a ketone attached to two phenyl groups."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:DKYWVDODHFEZIM-UHFFFAOYSA-N , csc:RUETVLNXAGWCDS-UHFFFAOYSA-N , csc:MQOBSOSZFYZQOK-UHFFFAOYSA-N , csc:OKISUZLXOYGIFP-UHFFFAOYSA-N , csc:RWCCWEUUXYIKHB-UHFFFAOYSA-N , csc:VVBLNCFGVYUYGU-UHFFFAOYSA-N , csc:OPXLLQIJSORQAM-UHFFFAOYSA-N , csc:YMTINGFKWWXKFG-UHFFFAOYSA-N , csc:AMSPWOYQQAWRRM-UHFFFAOYSA-N , csc:CPEUVMUXAHMANV-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000120" ; skos:prefLabel "Benzophenones"@en . csc:CHEMONTID_0004089 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004089 ; skos:definition "Organic compounds containing a disulfide group R-SS-R' where R and R' are both alkyl groups."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZIMCZOLRXKPXLN-UHFFFAOYSA-N , csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004089" ; skos:prefLabel "Dialkyldisulfides"@en . csc:XDNBJTQLKCIJBV-UHFFFAOYSA-N a 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:WPNHOHPRXXCPRA-TVXIRPTOSA-N a 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 a 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:CHEMONTID_0004721 skos:narrower csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N , csc:MXWJVTOOROXGIU-UHFFFAOYSA-N , csc:MGNCLNQXLYJVJD-UHFFFAOYSA-N , csc:FVFVNNKYKYZTJU-UHFFFAOYSA-N . csc:RIOXQFHNBCKOKP-UHFFFAOYSA-N a 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:CHEMONTID_0000518 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000518 ; skos:definition "Compounds containing a triphenylene moiety, which consists of four fused benzene rings forming a 9,10-benzo[l]phenanthrene."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000518" ; skos:prefLabel "Triphenylenes"@en . csc:CHEMONTID_0001262 skos:narrower csc:GTKRZJVAXAQBMB-UHFFFAOYSA-N , csc:DSKJPMWIHSOYEA-UHFFFAOYSA-N . csc:CHEMONTID_0000035 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000035 ; skos:definition "Aromatic compounds containing a halogen atom linked to a benzene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000035" ; skos:prefLabel "Halobenzenes"@en . csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "3HOxNaf27Dsf" ; skos:prefLabel "3-hydroxynaftaleen-2,7-disulfonzuur"@nl . csc:SKDFWEPBABSFMG-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000093 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000093 ; skos:definition "Cyclic organic compounds containing a thiadiazole ring, which is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:KCOCSOWTADCKOL-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000093" ; skos:prefLabel "Thiadiazoles"@en . csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N a 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:CHEMONTID_0002951 skos:narrower csc:HLZKNKRTKFSKGZ-UHFFFAOYSA-N , csc:BXWNKGSJHAJOGX-UHFFFAOYSA-N , csc:BTFJIXJJCSYFAL-UHFFFAOYSA-N . csc:CHEMONTID_0001724 skos:narrower csc:VJFUPGQZSXIULQ-XIGJTORUSA-N , csc:ROVGZAWFACYCSP-VUMXUWRFSA-N . csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N a 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:CHEMONTID_0003467 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003467 ; skos:definition "Organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:RQDJADAKIFFEKQ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0003467" ; skos:prefLabel "Linear 1,3-diarylpropanoids"@en . csc:VHRGRCVQAFMJIZ-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000014 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000014 ; skos:definition "Compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:WSEQXVZVJXJVFP-UHFFFAOYSA-N , csc:SGTNSNPWRIOYBX-UHFFFAOYSA-N , csc:PXMNMQRDXWABCY-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000014" ; skos:prefLabel "Phenylbutylamines"@en . csc:XCZCWGVXRBJCCD-UHFFFAOYSA-N a 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:CHEMONTID_0002866 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002866 ; skos:definition "Organic compounds containing an aromatic ring (or ring system) carrying a C-X bond."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002866" ; skos:prefLabel "Aryl halides"@en . csc:RQVGAIADHNPSME-UHFFFAOYSA-N a 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:CHEMONTID_0000640 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000640 ; skos:definition "Inorganic compounds in which the largest oxoanion is hypochlorite, and in which the heaviest atom not in an oxoanion is an alkali metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N , csc:FHKLOBNGYGFRSF-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000640" ; skos:prefLabel "Alkali metal hypochlorites"@en . csc:QMLVECGLEOSESV-RYUDHWBXSA-N a 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 a 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 a 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:SGTNSNPWRIOYBX-UHFFFAOYSA-N a 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:CHEMONTID_0000555 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000555 ; skos:definition "Inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:UCKMPCXJQFINFW-UHFFFAOYSA-N , csc:RWSOTUBLDIXVET-UHFFFAOYSA-N , csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000555" ; skos:prefLabel "Other non-metal sulfides"@en . csc:LRUDIIUSNGCQKF-UHFFFAOYSA-N a 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:LGHZJDKSVUTELU-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000072 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000072 ; skos:definition "Compounds containing a dibenzodiazepine moiety, which consists of two benzene connected by diazepine ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZUXABONWMNSFBN-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000072" ; skos:prefLabel "Dibenzodiazepines"@en . csc:XZZNDPSIHUTMOC-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0004673 skos:narrower csc:PQTBTIFWAXVEPB-UHFFFAOYSA-N , csc:KPUREKXXPHOJQT-UHFFFAOYSA-N . csc:CXGONMQFMIYUJR-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002362 skos:narrower csc:JUZNIMUFDBIJCM-ANEDZVCMSA-N . csc:LFULEKSKNZEWOE-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001135 skos:narrower csc:VLPFTAMPNXLGLX-UHFFFAOYSA-N , csc:URAYPUMNDPQOKB-UHFFFAOYSA-N . csc:CHEMONTID_0004111 skos:narrower csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N , csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N , csc:PMHURSZHKKJGBM-UHFFFAOYSA-N , csc:PFIADAMVCJPXSF-UHFFFAOYSA-N , csc:OHBQPCCCRFSCAX-UHFFFAOYSA-N , csc:HOERQTQCTISLFR-UHFFFAOYSA-N . csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0000534 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000534 ; skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a metalloid."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VYPSYNLAJGMNEJ-UHFFFAOYSA-N , csc:JKWMSGQKBLHBQQ-UHFFFAOYSA-N , csc:HJIQVKXMQOLFFS-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000534" ; skos:prefLabel "Metalloid oxides"@en . csc:QAOWNCQODCNURD-UHFFFAOYSA-N a 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:CYTYCFOTNPOANT-UHFFFAOYSA-N a 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:CHEMONTID_0000051 skos:narrower csc:VEMKTZHHVJILDY-UHFFFAOYSA-N , csc:SPPWGCYEYAMHDT-UHFFFAOYSA-N , csc:RECUKUPTGUEGMW-UHFFFAOYSA-N , csc:MGSRCZKZVOBKFT-UHFFFAOYSA-N , csc:MBEBPYJMHLBHDJ-UHFFFAOYSA-N , csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N . csc:WRZOMWDJOLIVQP-UHFFFAOYSA-N a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "T4C4yNH4Br" ; skos:prefLabel "tetrabutylammonium bromide"@nl . csc:XJIXIEBYTLLFCV-FAISOMDOSA-N a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "FeCl2" ; skos:prefLabel "ijzer(ii)chloride"@nl . csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N a 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:NIJJYAXOARWZEE-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0002341 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002341 ; skos:definition "Aromatic compounds containing an ether group substituted with a benzene ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:BHNQPLPANNDEGL-UHFFFAOYSA-N , csc:QCDWFXQBSFUVSP-UHFFFAOYSA-N , csc:WPYCRFCQABTEKC-UHFFFAOYSA-N , csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N , csc:BAZVSMNPJJMILC-OLZOCXBDSA-N , csc:XCSGHNKDXGYELG-UHFFFAOYSA-N , csc:WNMLTOIDDCEBNY-UHFFFAOYSA-N , csc:VWGNFIQXBYRDCH-UHFFFAOYSA-N , csc:OWEGWHBOCFMBLP-UHFFFAOYSA-N , csc:ZROGCHDPRZRKTI-UHFFFAOYSA-N , csc:WURBVZBTWMNKQT-UHFFFAOYSA-N , csc:HMIBKHHNXANVHR-UHFFFAOYSA-N , csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N , csc:LLWADFLAOKUBDR-UHFFFAOYSA-N , csc:LOJHHQNEBFCTQK-UHFFFAOYSA-N , csc:BLXVTZPGEOGTGG-UHFFFAOYSA-N , csc:PUQIRTNPJRFRCZ-UHFFFAOYSA-N , csc:ISRUGXGCCGIOQO-UHFFFAOYSA-N , csc:BAZVSMNPJJMILC-STQMWFEESA-N , csc:BAZVSMNPJJMILC-UHFFFAOYSA-N , csc:RRLGETDMEIMLQU-UHFFFAOYSA-N , csc:YATIGPZCMOYEGE-UHFFFAOYSA-N , csc:OFRYBPCSEMMZHR-UHFFFAOYSA-N , csc:YASAKCUCGLMORW-UHFFFAOYSA-N , csc:NJPPVKZQTLUDBO-UHFFFAOYSA-N , csc:ZOTBXTZVPHCKPN-HTXNQAPBSA-N ; skos:notation "CHEMONTID:0002341" ; skos:prefLabel "Phenol ethers"@en . csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N a 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 a 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:CHEMONTID_0001114 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001114 ; skos:definition "Organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:CZRWOPRGDPUSDE-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001114" ; skos:prefLabel "Beta-keto acids and derivatives"@en . csc:CHEMONTID_0004084 skos:narrower csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N . csc:OWZREIFADZCYQD-DXCJPMOASA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:ZOMSMJKLGFBRBS-UHFFFAOYSA-N a 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:UUIQMZJEGPQKFD-UHFFFAOYSA-N a 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:YGYAWVDWMABLBF-UHFFFAOYSA-N a 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:CHEMONTID_0004631 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004631 ; skos:definition "Organosulfur compounds containing a thioether group that is substituted by an aryl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:RESBOJMQOGJOMW-UHFFFAOYSA-N , csc:ZHLKXBJTJHRTTE-UHFFFAOYSA-N , csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N , csc:OUCCVXVYGFBXSV-UHFFFAOYSA-N , csc:LGZZJTIUEJNNKV-UHFFFAOYSA-N , csc:NKNFWVNSBIXGLL-UHFFFAOYSA-N , csc:ZCNQYNHDVRPZIH-UHFFFAOYSA-N , csc:VEDTXTNSFWUXGQ-UHFFFAOYSA-N , csc:MIWRSUQXSCLDNV-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004631" ; skos:prefLabel "Aryl thioethers"@en . csc:BWLUMTFWVZZZND-UHFFFAOYSA-N a 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:CHEMONTID_0000428 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000428 ; skos:definition "Inorganic compounds containing only metal atoms,with the largest atom being a alkaline earth metal atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N , csc:OYPRJOBELJOOCE-RKEGKUSMSA-N , csc:OYPRJOBELJOOCE-UHFFFAOYSA-N , csc:HCWPIIXVSYCSAN-OIOBTWANSA-N , csc:HCWPIIXVSYCSAN-YPZZEJLDSA-N , csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N , csc:HCWPIIXVSYCSAN-BJUDXGSMSA-N , csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N , csc:HCWPIIXVSYCSAN-NJFSPNSNSA-N , csc:HCWPIIXVSYCSAN-UHFFFAOYSA-N , csc:DSAJWYNOEDNPEQ-AHCXROLUSA-N , csc:CIOAGBVUUVVLOB-OIOBTWANSA-N , csc:DSAJWYNOEDNPEQ-AKLPVKDBSA-N , csc:CIOAGBVUUVVLOB-NJFSPNSNSA-N , csc:CIOAGBVUUVVLOB-OUBTZVSYSA-N , csc:ATBAMAFKBVZNFJ-YPZZEJLDSA-N , csc:BHPQYMZQTOCNFJ-UHFFFAOYSA-N , csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000428" ; skos:prefLabel "Homogeneous alkaline earth metal compounds"@en . csc:WAPNOHKVXSQRPX-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0002320 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002320 ; skos:definition "Aromatic compounds containing benzene substituted by a hydroxyl group and a halogen atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002320" ; skos:prefLabel "Halophenols"@en . csc:ZYGHJZDHTFUPRJ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000486 skos:narrower csc:NHZLNPMOSADWGC-UHFFFAOYSA-N , csc:JYQUHIFYBATCCY-UHFFFAOYSA-N , csc:FBQQHUGEACOBDN-UHFFFAOYSA-N , csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N . csc:OIAGWXKSCXPNNZ-UHFFFAOYSA-N a 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:CHEMONTID_0002861 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002861 ; skos:definition "Vinyl halides in which a fluorine atom is bonded to an sp2-hybridised carbon atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:LGPPATCNSOSOQH-UHFFFAOYSA-N , csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N , csc:HCDGVLDPFQMKDK-UHFFFAOYSA-N , csc:UUAGAQFQZIEFAH-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002861" ; skos:prefLabel "Vinyl fluorides"@en . csc:YUVKUEAFAVKILW-SECBINFHSA-N a 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 a 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 a 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:CHEMONTID_0001151 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001151 ; skos:definition "Compounds containing an indane ring bearing a ketone group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:QNXSIUBBGPHDDE-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001151" ; skos:prefLabel "Indanones"@en . csc:AXGUBXVWZBFQGA-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0001549 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001549 ; skos:definition "Compounds containing a chain of two isoprene units."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:LHHGDZSESBACKH-UHFFFAOYSA-N , csc:HCTWZIFNBBCVGM-UHFFFAOYSA-N , csc:IZHZFAQWVKBTSL-UHFFFAOYSA-N , csc:BJLRAKFWOUAROE-UHFFFAOYSA-N , csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N , csc:GVYLCNUFSHDAAW-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001549" ; skos:prefLabel "Monoterpenoids"@en . csc:CHEMONTID_0000550 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000550 ; skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is a halogen."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YGYAWVDWMABLBF-UHFFFAOYSA-N , csc:OBTWBSRJZRCYQV-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000550" ; skos:prefLabel "Halogen oxides"@en . csc:CHEMONTID_0004525 skos:narrower csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N , csc:SODPIMGUZLOIPE-UHFFFAOYSA-N , csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N , csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N . csc:IMFACGCPASFAPR-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0003924 skos:narrower csc:ZZMVLMVFYMGSMY-UHFFFAOYSA-N , csc:XCEYKKJMLOFDSS-UHFFFAOYSA-N , csc:VSHTWPWTCXQLQN-UHFFFAOYSA-N , csc:OJGMBLNIHDZDGS-UHFFFAOYSA-N , csc:MWGATWIBSKHFMR-UHFFFAOYSA-N , csc:CDZOGLJOFWFVOZ-UHFFFAOYSA-N , csc:AFBPFSWMIHJQDM-UHFFFAOYSA-N . csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "T4C1yNH4Cl" ; skos:prefLabel "tetramethylammoniumchloride"@nl . csc:NGBBVGZWCFBOGO-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0002840 skos:narrower csc:ZOLLIQAKMYWTBR-UDIJVJLMSA-N . csc:CSWBSLXBXRFNST-MQQKCMAXSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004504 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004504 ; skos:definition "Organic nitrogen compounds that contain the cyano (C#N) group. The group can be present either in the anionic or covalently bond form."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0004504" ; skos:prefLabel "Organic cyanides"@en . csc:BIWJNBZANLAXMG-UHFFFAOYSA-N a 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:QHMGJGNTMQDRQA-UHFFFAOYSA-N a 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:BLFLLBZGZJTVJG-UHFFFAOYSA-N a 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:DDBREPKUVSBGFI-UHFFFAOYSA-N a 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 a 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 a 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:VIDRYROWYFWGSY-UHFFFAOYSA-N a 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:BXNANOICGRISHX-UHFFFAOYSA-N a 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:CHEMONTID_0000444 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000444 ; skos:definition "Inorganic halogenic compounds in which the heaviest metal atom is a post-transition metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PGCGUUGEUBFBPP-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000444" ; skos:prefLabel "Post-transition metal salts"@en . csc:ZMQAAUBTXCXRIC-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:TZBJGXHYKVUXJN-UHFFFAOYSA-N a 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:OSDLLIBGSJNGJE-UHFFFAOYSA-N a 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:CHEMONTID_0003961 skos:narrower csc:QZHDEAJFRJCDMF-UHFFFAOYSA-N , csc:OYGQVDSRYXATEL-UHFFFAOYSA-N , csc:MNEXVZFQQPKDHC-UHFFFAOYSA-N , csc:JGTNAGYHADQMCM-UHFFFAOYSA-N , csc:HYWZIAVPBSTISZ-UHFFFAOYSA-N , csc:CFCRODHVHXGTPC-UHFFFAOYSA-N , csc:ACEKLXZRZOWKRY-UHFFFAOYSA-N . csc:CRBJBYGJVIBWIY-UHFFFAOYSA-N a 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:CHEMONTID_0004477 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004477 ; skos:definition "Aromatic compounds that are made up of carbon and hydrogen atoms only."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:KTWOOEGAPBSYNW-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004477" ; skos:prefLabel "Aromatic hydrocarbons"@en . csc:FIKAKWIAUPDISJ-UHFFFAOYSA-L a 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:inScheme vlcs:chemische_stof ; skos:notation "pqtDCl" ; skos:prefLabel "paraquat-dichloride"@nl . csc:ZPIFKCVYZBVZIV-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0000423 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000423 ; skos:definition "Inorganic compounds that contain only metal elements."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000423" ; skos:prefLabel "Homogeneous non-metal compounds"@en . csc:CLMQUEQFVUMDPC-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001565 skos:narrower csc:XWPZUHJBOLQNMN-UHFFFAOYSA-N , csc:QTYCMDBMOLSEAM-UHFFFAOYSA-N . csc:JUZNIMUFDBIJCM-ANEDZVCMSA-N a 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:CHEMONTID_0003314 skos:narrower csc:OORLZFUTLGXMEF-UHFFFAOYSA-N , csc:MLKCGVHIFJBRCD-UHFFFAOYSA-N , csc:GMBRUAIJEFRHFQ-UHFFFAOYSA-N , csc:BABJTMNVJXLAEX-UHFFFAOYSA-N , csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N . csc:DNRJTBAOUJJKDY-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0003940 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003940 ; skos:definition "Organic compounds containing an oxide group."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:UGCNRZFAUBJVPT-UHFFFAOYSA-N , csc:MOQGCGNUWBPGTQ-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0003940" ; skos:prefLabel "Organic oxides"@en . csc:GRLPQNLYRHEGIJ-UHFFFAOYSA-J a 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 a 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 a 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:CHEMONTID_0004456 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004456 ; skos:definition "Organic compounds containing the selenite oxoanion, with the formula [SO3]2-, or its conjugated base."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0004456" ; skos:prefLabel "Organic sulfites"@en . csc:YEHGKFOTJWYCBN-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0002230 skos:narrower csc:LEQAOMBKQFMDFZ-UHFFFAOYSA-N , csc:IKHGUXGNUITLKF-UHFFFAOYSA-N , csc:AMIMRNSIRUDHCM-UHFFFAOYSA-N . csc:HJJVPARKXDDIQD-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000402 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000402 ; skos:definition "Organic compounds containing phosphoric acid or a derivative thereof."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000402" ; skos:prefLabel "Organic phosphoric acids and derivatives"@en . csc:HCAJEUSONLESMK-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0002771 skos:narrower csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N , csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N , csc:KEWNKZNZRIAIAK-UHFFFAOYSA-N , csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N . csc:CHEMONTID_0001544 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001544 ; skos:definition "Nucleotides consisting of a purine base linked to a ribose to which at least one phosphate group is attached."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001544" ; skos:prefLabel "Purine ribonucleotides"@en . csc:ZSLUVFAKFWKJRC-FTXFMUIASA-N a 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:CHEMONTID_0000317 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000317 ; skos:definition "Organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:HSUGRBWQSSZJOP-RTWAWAEBSA-N ; skos:notation "CHEMONTID:0000317" ; skos:prefLabel "Benzothiazepines"@en . csc:WNVCMFHPRIBNCW-HTQZYQBOSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000460 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000460 ; skos:definition "Inorganic compounds belonging to either of the metalloid hydrides, metalloid nitrides, metalloid oxides, metalloid sulfides."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000460" ; skos:prefLabel "Metalloid organides"@en . csc:HBGGXOJOCNVPFY-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000375 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000375 ; skos:definition "Compounds containing a guanidine moiety, with the general structure (R1R2N)(R3R4N)C=N-R5."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:GGBZCCPSKRKGQB-UHFFFAOYSA-N , csc:YIKWKLYQRFRGPM-UHFFFAOYSA-N , csc:RONFGUROBZGJKP-UHFFFAOYSA-N , csc:QGBSISYHAICWAH-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000375" ; skos:prefLabel "Guanidines"@en . csc:RWPICVVBGZBXNA-UHFFFAOYSA-N a 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:NATVSFWWYVJTAZ-UHFFFAOYSA-N a 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:PQFRTXSWDXZRRS-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001523 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001523 ; skos:definition "Organic compounds containing a post-transition metal atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZMHZSHHZIKJFIR-UHFFFAOYSA-N , csc:GYKSIQWGEZQNEA-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001523" ; skos:prefLabel "Organo-post-transition metal compounds"@en . csc:JDUYPUMQALQRCN-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0001438 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001438 ; skos:definition "Organic derivatives of thiophosphonic acid, thiophosphoric acid, dithiophosphoric acid, or phosphorotrithioic acid, or derivatives thereof. Thiophosphonic acid, dithiophosphoric acid, thiophosphoric acid, and phosphorotrithioic acid are thiophosphorus compounds with the formula OP(O)(=S), OP(S)(=S)O, OP(O)(=S)O, and OP(=S)(S)S, respectively."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YASYVMFAVPKPKE-UHFFFAOYSA-N , csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N , csc:KXRPCFINVWWFHQ-UHFFFAOYSA-N , csc:ZOKXUAHZSKEQSS-UHFFFAOYSA-N , csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N , csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N , csc:KLAPGAOQRZTCBI-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001438" ; skos:prefLabel "Organothiophosphorus compounds"@en . csc:SOGAXMICEFXMKE-UHFFFAOYSA-N a 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:QSHDDOUJBYECFT-NJFSPNSNSA-N a 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:HJUFTIJOISQSKQ-UHFFFAOYSA-N a 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:HIHCTGNZNHSZPP-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001581 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001581 ; skos:definition "Compounds containing a piperidine ring which bears a ketone."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZXNWYMNKYXUZGM-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001581" ; skos:prefLabel "Piperidinones"@en . csc:CJPQIRJHIZUAQP-UHFFFAOYSA-N a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "KNC1yDtocbmt" ; skos:prefLabel "kalium N-methyldithiocarbamaat"@nl . csc:WFKSADNZWSKCRZ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004472 skos:narrower csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N , csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N , csc:HEWZVZIVELJPQZ-UHFFFAOYSA-N , csc:GQXSDDHYUVYJCQ-UHFFFAOYSA-N , csc:FWCBATIDXGJRMF-UHFFFAOYSA-N . csc:ADPGKKZKGXANON-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000901 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000901 ; skos:definition "Inorganic compounds in which the largest oxoanion is silicate, and in which the heaviest atom not in an oxoanion is an alkali metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ADPGKKZKGXANON-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000901" ; skos:prefLabel "Alkali metal silicates"@en . csc:CHEMONTID_0000895 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000895 ; skos:definition "Inorganic compounds in which the largest oxoanion is borate, and in which the heaviest atom not in an oxoanion is an alkali metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:RHSGYAYYVYMXIF-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000895" ; skos:prefLabel "Alkali metal borates"@en . csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N a 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:CHEMONTID_0004387 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004387 ; skos:definition "Aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:OFCNXPDARWKPPY-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004387" ; skos:prefLabel "Pyrazolo[3,4-d]pyrimidines"@en . csc:PCZHWPSNPWAQNF-LMOVPXPDSA-K a 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:inScheme vlcs:chemische_stof ; skos:notation "gadxzr" ; skos:prefLabel "gadoxeetzuur"@nl . csc:SPPWGCYEYAMHDT-UHFFFAOYSA-N a 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:FYOFOKCECDGJBF-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0000333 skos:narrower csc:NQPDZGIKBAWPEJ-UHFFFAOYSA-N , csc:NOQGZXFMHARMLW-UHFFFAOYSA-N , csc:IZNAUZVEFQFMON-UHFFFAOYSA-N , csc:FERIUCNNQQJTOY-UHFFFAOYSA-N . csc:AOMUHOFOVNGZAN-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004451 skos:narrower csc:NIXOWILDQLNWCW-UHFFFAOYSA-N . csc:CHEMONTID_0001475 skos:narrower csc:OWTFKEBRIAXSMO-UHFFFAOYSA-N . csc:HNDLJIIQWDVRRI-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "actmnpSO4Esr" ; skos:prefLabel "acetaminophen sulfaatester"@nl . csc:FGIWFCGDPUIBEZ-UHFFFAOYSA-N a 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 a 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 a 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:IOPTXXRNXCPJGO-UHFFFAOYSA-N a 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:IMHBYKMAHXWHRP-UHFFFAOYSA-N a 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:QZYNWJQFTJXIRN-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0003203 skos:narrower csc:CUBICSJJYOPOIA-UHFFFAOYSA-N . csc:NRNWARROUIEBPJ-UHFFFAOYSA-N a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "nafclne" ; skos:prefLabel "nafcilline"@nl . csc:WKDZZKIPDBZSRW-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "C1yHgbzat" ; skos:prefLabel "methylkwikbenzoaat"@nl . csc:XWPZUHJBOLQNMN-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000285 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000285 ; skos:definition "Organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VDLGAVXLJYLFDH-UHFFFAOYSA-N , csc:UWVQIROCRJWDKL-UHFFFAOYSA-N , csc:SCCDDNKJYDZXMM-UHFFFAOYSA-N , csc:IANUJLZYFUDJIH-UHFFFAOYSA-N , csc:DIOZMSACJPTBST-UHFFFAOYSA-N , csc:AMEKQAFGQBKLKX-UHFFFAOYSA-N , csc:JOFDPSBOUCXJCC-UHFFFAOYSA-N , csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N , csc:DYDNPESBYVVLBO-UHFFFAOYSA-N , csc:STEPQTYSZVCJPV-UHFFFAOYSA-N , csc:GYSSRZJIHXQEHQ-UHFFFAOYSA-N , csc:LFULEKSKNZEWOE-UHFFFAOYSA-N , csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N , csc:DNTGGZPQPQTDQF-XBXARRHUSA-N , csc:HKPHPIREJKHECO-UHFFFAOYSA-N , csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N , csc:YPCALTGLHFLNGA-UHFFFAOYSA-N , csc:KXGYBSNVFXBPNO-UHFFFAOYSA-N , csc:UTCJUUGCHWHUNI-UHFFFAOYSA-N , csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000285" ; skos:prefLabel "Anilides"@en . csc:WNTGYJSOUMFZEP-SSDOTTSWSA-N a 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 a 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 a 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 a 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:CHEMONTID_0000206 skos:narrower csc:VDUWPHTZYNWKRN-UHFFFAOYSA-N . csc:QSNSCYSYFYORTR-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001974 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001974 ; skos:definition "Compounds containing a piperidine ring which bears a carboxylic acid group (or a derivative thereof)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001974" ; skos:prefLabel "Piperidinecarboxylic acids and derivatives"@en . csc:SLSSBKMDWYZIRQ-UHFFFAOYSA-N a 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:CHEMONTID_0000264 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000264 ; skos:definition "Compounds an organic acid or a derivative thereof."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000264" ; skos:prefLabel "Organic acids and derivatives"@en . csc:VHKXXVVRRDYCIK-CWCPJSEDSA-N a 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:SNKLPZOJLXDZCW-UHFFFAOYSA-N a 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:RGCLLPNLLBQHPF-CMDGGOBGSA-N a 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:QYPPRTNMGCREIM-UHFFFAOYSA-N a 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:GCKFUYQCUCGESZ-KIIRVTSASA-N a 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:SGNBVLSWZMBQTH-UHFFFAOYSA-N a 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:CHEMONTID_0004239 skos:narrower csc:QYPPRTNMGCREIM-UHFFFAOYSA-N , csc:OGGXGZAMXPVRFZ-UHFFFAOYSA-N . csc:RYMZZMVNJRMUDD-HGQWONQESA-N a 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:ABOOPXYCKNFDNJ-UHFFFAOYSA-N a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "campsfzr" ; skos:prefLabel "camphorsulfonzuur"@nl . csc:WXCMHFPAUCOJIG-UHFFFAOYSA-N a 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 a 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 a skos:ConceptScheme ; xkos:belongsTo omg_dataset:codelijst-chemische_stof ; xkos:levels list:kingdom ; 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:hasTopConcept csc:CHEMONTID_0000001 , csc:CHEMONTID_0000000 ; skos:prefLabel "Conceptschema Chemische Stoffen"@nl . csc:XITQUSLLOSKDTB-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0004297 skos:narrower csc:OYIKARCXOQLFHF-UHFFFAOYSA-N , csc:IYIKLHRQXLHMJQ-UHFFFAOYSA-N . csc:UGCSPKPEHQEOSR-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001470 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001470 ; skos:definition "Inorganic compounds containing a metallic oxoanion to which either no atom or a non metal atom is bonded."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001470" ; skos:prefLabel "Miscellaneous metallic oxoanionic compounds"@en . csc:HEWDOWUUTBCVJP-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0004361 skos:narrower csc:XQZXYNRDCRIARQ-LURJTMIESA-N , csc:TYYBFXNZMFNZJT-UHFFFAOYSA-N , csc:NJKDOADNQSYQEV-UHFFFAOYSA-N , csc:NBQNWMBBSKPBAY-UHFFFAOYSA-N , csc:FFINMCNLQNTKLU-UHFFFAOYSA-N . csc:HSZLKTCKAYXVBX-DCAGQSADSA-N a 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 a 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:CHEMONTID_0004759 skos:narrower csc:QTDRLOKFLJJHTG-UHFFFAOYSA-N . csc:DSAJWYNOEDNPEQ-AHCXROLUSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0002448 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002448 ; skos:definition "Aromatic compounds containing one or more benzene rings."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0002448" ; skos:prefLabel "Benzenoids"@en . csc:LFHISGNCFUNFFM-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000137 skos:narrower csc:XWTYSIMOBUGWOL-UHFFFAOYSA-N , csc:GHMLBKRAJCXXBS-UHFFFAOYSA-N , csc:DNZXWDUPPLHSQL-UHFFFAOYSA-N . csc:OKIBNKKYNPBDRS-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0001279 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001279 ; skos:definition "Compounds containing having two beta-haloalkyl groups bound to a sulfur atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:QKSKPIVNLNLAAV-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001279" ; skos:prefLabel "Sulfur mustard compounds"@en . csc:IDSKMUOSMAUASS-UHFFFAOYSA-N a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "13Clal357Taz" ; skos:prefLabel "1-(3-chloorallyl)-3,5,7-triaza-1-azoniaadamantaanchloride"@nl . csc:ZMZDMBWJUHKJPS-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:prefLabel "thiocyanaten"@nl . csc:BVUXDWXKPROUDO-UHFFFAOYSA-N a 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:CHEMONTID_0000195 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000195 ; skos:definition "Compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000195" ; skos:prefLabel "Piperidines"@en . csc:CHEMONTID_0000201 skos:narrower csc:GVJHHUAWPYXKBD-IEOSBIPESA-N . csc:BNCADMBVWNPPIZ-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0003569 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003569 ; skos:definition "Steroids with a structure based on the 21-carbon pregnane skeleton."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003569" ; skos:prefLabel "Pregnane steroids"@en . csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0003086 skos:narrower csc:OBETXYAYXDNJHR-UHFFFAOYSA-N , csc:ZDPHROOEEOARMN-UHFFFAOYSA-N , csc:PKJSRUTWBDIWAR-UHFFFAOYSA-N , csc:MNWFXJYAOYHMED-UHFFFAOYSA-N , csc:JZHDEEOTEUVLHR-UHFFFAOYSA-N , csc:SLXKOJJOQWFEFD-UHFFFAOYSA-N , csc:FUZZWVXGSFPDMH-UHFFFAOYSA-N , csc:FBUKVWPVBMHYJY-UHFFFAOYSA-N , csc:POULHZVOKOAJMA-UHFFFAOYSA-N , csc:FRPZMMHWLSIFAZ-UHFFFAOYSA-N , csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N , csc:WSWCOQWTEOXDQX-MQQKCMAXSA-N , csc:JZRCRCFPVAXHHQ-UHFFFAOYSA-N , csc:MBGYSHXGENGTBP-UHFFFAOYSA-N , csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N . csc:HJIUPFPIEBPYIE-UHFFFAOYSA-N a 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 a 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 a 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:CHEMONTID_0002485 a skos:Concept ; rdfs:seeAlso tax_nodes:C0002485 ; skos:definition "Organic compounds containing a functional group with the structure RSH (R = organyl)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0002485" ; skos:prefLabel "Thiols"@en . csc:SODPIMGUZLOIPE-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0003633 a skos:Concept ; rdfs:seeAlso tax_nodes:C0003633 ; skos:definition "Organic 1,3-dipolar compounds with the general structure X#N+-Z- <-> X-=N+=Z <-> X-=N-Z+ <-> X-N=Z (X = C or O, Z = C, N, or O)."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0003633" ; skos:prefLabel "Propargyl-type 1,3-dipolar organic compounds"@en . csc:UPVZPMJSRSWJHQ-HTXSYXIBSA-N a 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 a 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 a 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:CHEMONTID_0000174 skos:narrower csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N , csc:AVKUERGKIZMTKX-NJBDSQKTSA-N . csc:CHEMONTID_0004149 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004149 ; skos:definition "Polycyclic organic compounds made up only of carbon and hydrogen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:HECLRDQVFMWTQS-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004149" ; skos:prefLabel "Polycyclic hydrocarbons"@en . csc:CBCKQZAAMUWICA-UHFFFAOYSA-N a 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:CHEMONTID_0001322 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001322 ; skos:definition "Compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001322" ; skos:prefLabel "Pyridinecarboxylic acids and derivatives"@en . csc:CHEMONTID_0004292 skos:narrower csc:JZUFKLXOESDKRF-UHFFFAOYSA-N . csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N a 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:CHEMONTID_0000089 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000089 ; skos:definition "Compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PCFUWBOSXMKGIP-UHFFFAOYSA-N , csc:JUJWROOIHBZHMG-UHFFFAOYSA-N , csc:DPNGWXJMIILTBS-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000089" ; skos:prefLabel "Pyridines and derivatives"@en . csc:ATQUFXWBVZUTKO-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0002464 skos:narrower csc:XEVRDFDBXJMZFG-UHFFFAOYSA-N . csc:OGYFATSSENRIKG-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000153 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000153 ; skos:definition "Compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZIEWAMOXCOLNSJ-UHFFFAOYSA-N , csc:QDRXWCAVUNHOGA-UHFFFAOYSA-N , csc:OBLNWSCLAYSJJR-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000153" ; skos:prefLabel "Naphthoquinones"@en . csc:WRMNZCZEMHIOCP-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001295 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001295 ; skos:definition "Compounds containing an steroid backbone, with at least one hydrogen substituted by a hydroxyl group."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001295" ; skos:prefLabel "Hydroxysteroids"@en . csc:AFBPFSWMIHJQDM-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000132 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000132 ; skos:definition "Compounds containing the enol functional group, with the structure HO(R)C=CR'. Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:IMROMDMJAWUWLK-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000132" ; skos:prefLabel "Enols"@en . csc:CHEMONTID_0004107 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004107 ; skos:definition "Compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N , csc:QHMTXANCGGJZRX-WUXMJOGZSA-N , csc:IQGKIPDJXCAMSM-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004107" ; skos:prefLabel "1,2,4-triazines"@en . csc:MYWUZJCMWCOHBA-VIFPVBQESA-N a 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 a 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 a 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 a 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:CHEMONTID_0001274 skos:narrower csc:YPNZJHFXFVLXSE-UHFFFAOYSA-N , csc:RHPUJHQBPORFGV-UHFFFAOYSA-N , csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N , csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N , csc:OGRAOKJKVGDSFR-UHFFFAOYSA-N , csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N . csc:IZEZAMILKKYOPW-UHFFFAOYSA-N a 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:CHEMONTID_0000047 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000047 ; skos:definition "Tetralin lignans in which the benzene moiety of the tetralin skeleton is fused to a 1,3-dioxolane and the cyclohexane is fused to a butyrolactone (pyrrolidin-2-one)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:VJJPUSNTGOMMGY-MRVIYFEKSA-N ; skos:notation "CHEMONTID:0000047" ; skos:prefLabel "Podophyllotoxins"@en . csc:NVHBFHMWJJMQTG-UHFFFAOYSA-N a 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 a 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:CHEMONTID_0001189 skos:narrower csc:QYIYFLOTGYLRGG-GPCCPHFNSA-N . csc:CHEMONTID_0000190 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000190 ; skos:definition "Compounds containing a methoxy group attached to the benzene ring of a phenol moiety."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:MRBKEAMVRSLQPH-UHFFFAOYSA-N , csc:SERZNTMEVJWJSA-UHFFFAOYSA-N , csc:MWOOGOJBHIARFG-UHFFFAOYSA-N , csc:RRAFCDWBNXTKKO-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000190" ; skos:prefLabel "Methoxyphenols"@en . csc:PZTAFRMXSAAHMQ-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "joxtlmnzr" ; skos:prefLabel "joxitalaminezuur"@nl . csc:ATJFFYVFTNAWJD-VENIDDJXSA-N a 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:CHEMONTID_0004791 skos:narrower csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N . csc:SZHOJFHSIKHZHA-UHFFFAOYSA-N a 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 a 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: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:CHEMONTID_0004712 skos:narrower csc:WYEMLYFITZORAB-UHFFFAOYSA-N , csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N . csc:WQOXQRCZOLPYPM-UHFFFAOYSA-N a 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:CHEMONTID_0001253 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001253 ; skos:definition "Compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:FBOFHVFMPNNIKN-UHFFFAOYSA-N , csc:MUDSDYNRBDKLGK-UHFFFAOYSA-N , csc:ZTNANFDSJRRZRJ-UHFFFAOYSA-N , csc:SMUQFGGVLNAIOZ-UHFFFAOYSA-N , csc:QXKPLNCZSFACPU-UHFFFAOYSA-N , csc:JJPSZKIOGBRMHK-UHFFFAOYSA-N , csc:SMWDFEZZVXVKRB-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001253" ; skos:prefLabel "Quinolines and derivatives"@en . csc:DKYWVDODHFEZIM-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0004144 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004144 ; skos:definition "Compounds containing an aromatic ring where a carbon atom is linked to an hetero atom."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N , csc:JLYFCTQDENRSOL-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0004144" ; skos:prefLabel "Heteroaromatic compounds"@en . csc:CHEMONTID_0001168 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001168 ; skos:definition "Organic compounds comprising the ketene acetal functional group, with the general structure XC(Y)=C(R3)R4 (R1,R2=H, alkyl, aryl; X,Y=any hetero atom)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N , csc:LGXVIGDEPROXKC-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001168" ; skos:prefLabel "Ketene acetals"@en . csc:HIILBTHBHCLUER-IWQZZHSRSA-N a 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 a 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:CHEMONTID_0004770 skos:narrower csc:MEBQXILRKZHVCX-UHFFFAOYSA-N . csc:VGTPCRGMBIAPIM-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "NatoCN" ; skos:prefLabel "natriumthiocyanaat"@nl . csc:IAYPIBMASNFSPL-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0001715 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001715 ; skos:definition "Derivatives of quinoline in which in which at least one double bond in the quinoline moiety are reduced by adding two hydrogen atoms."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:GMMKZUPOLVXWFF-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0001715" ; skos:prefLabel "Hydroquinolines"@en . csc:UCZDDMGNCJJAHK-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:inScheme vlcs:chemische_stof ; skos:notation "SeO3" ; skos:prefLabel "seleniet"@nl . csc:OGPBJKLSAFTDLK-IGMARMGPSA-N a 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 a 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 a 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:JCDWETOKTFWTHA-UHFFFAOYSA-N a 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:JLYFCTQDENRSOL-UHFFFAOYSA-N a 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:CHEMONTID_0003522 skos:narrower csc:YOVRGSHRZRJTLZ-HZPDHXFCSA-N , csc:CYQFCXCEBYINGO-IAGOWNOFSA-N . csc:CHEMONTID_0000546 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000546 ; skos:definition "Inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:ODINCKMPIJJUCX-UHFFFAOYSA-N , csc:CPLXHLVBOLITMK-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000546" ; skos:prefLabel "Alkaline earth metal oxides"@en . csc:CHEMONTID_0001290 a skos:Concept ; rdfs:seeAlso tax_nodes:C0001290 ; skos:definition "Compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0001290" ; skos:prefLabel "Indolyl carboxylic acids and derivatives"@en . csc:UQXKXGWGFRWILX-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000525 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000525 ; skos:definition "Inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest metal atom is an alkali metal."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:PXIPVTKHYLBLMZ-UHFFFAOYSA-N , csc:MNWBNISUBARLIT-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000525" ; skos:prefLabel "Alkali metal nitrides"@en . csc:YMRMDGSNYHCUCL-UHFFFAOYSA-N a 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 a 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 a 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 a 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:XOUQAVYLRNOXDO-UHFFFAOYSA-N a 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:WATWJIUSRGPENY-IGMARMGPSA-N a 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:CHEMONTID_0003416 skos:narrower csc:RJUFJBKOKNCXHH-UHFFFAOYSA-N , csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N , csc:BHIWKHZACMWKOJ-UHFFFAOYSA-N . csc:BWZVCCNYKMEVEX-UHFFFAOYSA-N a 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:HRBKVYFZANMGRE-UHFFFAOYSA-N a 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:CHEMONTID_0004160 skos:narrower csc:XPDWGBQVDMORPB-UHFFFAOYSA-N , csc:VOPWNXZWBYDODV-UHFFFAOYSA-N , csc:UMNKXPULIDJLSU-UHFFFAOYSA-N , csc:RYFZYYUIAZYQLC-UHFFFAOYSA-N , csc:LFHISGNCFUNFFM-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:GATVIKZLVQHOMN-UHFFFAOYSA-N , csc:FMWLUWPQPKEARP-UHFFFAOYSA-N , csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N . csc:CHEMONTID_0001184 skos:narrower csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N , csc:DENRZWYUOJLTMF-UHFFFAOYSA-N , csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N . csc:JLGLQAWTXXGVEM-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000583 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000583 ; skos:definition "Inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a metalloid."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000583" ; skos:prefLabel "Metalloid chlorides"@en . csc:MTVNAPYHLASOSX-UHFFFAOYSA-N a 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:CHEMONTID_0001099 skos:narrower csc:WDZACGWEPQLKOM-UHFFFAOYSA-N , csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N , csc:HHUQPWODPBDTLI-UHFFFAOYSA-N , csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N , csc:RELMFMZEBKVZJC-UHFFFAOYSA-N , csc:YQEZLKZALYSWHR-UHFFFAOYSA-N , csc:VMNISWKTOHUZQN-UHFFFAOYSA-N , csc:GBDZXPJXOMHESU-UHFFFAOYSA-N , csc:STUSTWKEFDQFFZ-UHFFFAOYSA-N , csc:PPDBOQMNKNNODG-ZROIWOOFSA-N , csc:MNHVNIJQQRJYDH-UHFFFAOYSA-N , csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N , csc:OGYFATSSENRIKG-UHFFFAOYSA-N , csc:LLLFASISUZUJEQ-UHFFFAOYSA-N , csc:HZJKXKUJVSEEFU-UHFFFAOYSA-N , csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N , csc:RUYUCCQRWINUHE-UHFFFAOYSA-N , csc:PBKONEOXTCPAFI-UHFFFAOYSA-N , csc:KIEDNEWSYUYDSN-UHFFFAOYSA-N , csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N , csc:QZYNWJQFTJXIRN-UHFFFAOYSA-N , csc:XGWIJUOSCAQSSV-VPHXOMNUSA-N , csc:UXADOQPNKNTIHB-UHFFFAOYSA-N , csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N , csc:NPDACUSDTOMAMK-UHFFFAOYSA-N , csc:RXDMAYSSBPYBFW-UHFFFAOYSA-N , csc:DHWRNDJOGMTCPB-UHFFFAOYSA-N , csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N , csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N , csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N , csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N , csc:QHTQREMOGMZHJV-UHFFFAOYSA-N . csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N a 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 a 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 a 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 a 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 a 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:CHEMONTID_0000504 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000504 ; skos:definition "Derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:OYHQOLUKZRVURQ-HZJYTTRNSA-N , csc:VZCCETWTMQHEPK-QNEBEIHSSA-N , csc:DTOSIQBPPRVQHS-IUQGRGSQSA-N , csc:DVWSXZIHSUZZKJ-YSTUJMKBSA-N ; skos:notation "CHEMONTID:0000504" ; skos:prefLabel "Lineolic acids and derivatives"@en . csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N a 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:CHEMONTID_0000021 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000021 ; skos:definition "Compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring)."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:YSAXEHWHSLANOM-UHFFFAOYSA-N , csc:YBYIRNPNPLQARY-UHFFFAOYSA-N , csc:DNWJJJOJBSVOEL-UHFFFAOYSA-N ; skos:notation "CHEMONTID:0000021" ; skos:prefLabel "Indenes and isoindenes"@en . csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N a 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:CHEMONTID_0000419 a skos:Concept ; rdfs:seeAlso tax_nodes:C0000419 ; skos:definition "Organic compounds containing phosphonic acid or a derivative thereof."@en ; skos:inScheme vlcs:chemische_stof ; skos:notation "CHEMONTID:0000419" ; skos:prefLabel "Organic phosphonic acids and derivatives"@en . csc:HCJLVWUMMKIQIM-UHFFFAOYSA-M a 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:inScheme vlcs:chemische_stof ; skos:notation "NaPeClfnt" ; skos:prefLabel "natriumpentachloorfenaat"@nl . csc:CHEMONTID_0004622 a skos:Concept ; rdfs:seeAlso tax_nodes:C0004622 ; skos:definition "Hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch."@en ; skos:inScheme vlcs:chemische_stof ; skos:narrower csc:LAAVYEUJEMRIGF-UHFFFAOYSA-N , csc:ATQUFXWBVZUTKO-UHFFFAOYSA-N , csc:SZFRZEBLZFTODC-UHFFFAOYSA-N , csc:FXNDIJDIPNCZQJ-UHFFFAOYSA-N , csc:OJOWICOBYCXEKR-KRXBUXKQSA-N ; skos:notation "CHEMONTID:0004622" ; skos:prefLabel "Branched unsaturated hydrocarbons"@en . csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N a 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 a 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 a 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 a 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:QGJOPFRUJISHPQ-UHFFFAOYSA-N a 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:GUTLYIVDDKVIGB-YPZZEJLDSA-N a 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:NTJOBXMMWNYJFB-UHFFFAOYSA-N a 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 a 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 a 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 a 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:CHEMONTID_0004537 skos:narrower csc:QKICWELGRMTQCR-UHFFFAOYSA-N . csc:HECLRDQVFMWTQS-UHFFFAOYSA-N a 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 a 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:PFEOZHBOMNWTJB-UHFFFAOYSA-N a 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 a 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" ;