@prefix co: .
@prefix compound: .
@prefix cosc: .
@prefix csc: .
@prefix cscl: .
@prefix dbo: .
@prefix dbp: .
@prefix dc: .
@prefix dct: .
@prefix list: .
@prefix omg_dataset: .
@prefix rdf: .
@prefix rdfs: .
@prefix skos: .
@prefix tax_nodes: .
@prefix vcs: .
@prefix vlcs: .
@prefix wise: .
@prefix wk: .
@prefix xkos: .
@prefix xsd: .
csc:HVGRZDASOHMCSK-AVQMFFATSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5282807;
dbo:casNumber "7370-49-2";
dbo:formula "C22H40O2";
dbo:inchi "InChI=1S/C22H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10H,2-5,8,11-21H2,1H3,(H,23,24)/b7-6+,10-9+";
dbo:iupacName "(13E,16E)-docosa-13,16-dienoic acid"@en;
dbo:pubchem "5282807"^^xsd:int;
dbo:smiles "CCCCCC=CCC=CCCCCCCCCCCCC(=O)O";
dbp:inchikey "HVGRZDASOHMCSK-AVQMFFATSA-N";
skos:broader csc:CHEMONTID_0002950;
skos:inScheme vlcs:chemische_stof;
skos:notation "c1316C22aDzr";
skos:prefLabel "cis-13,16-docosadieenzuur"@nl .
csc:APQSQLNWAIULLK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11304;
dbo:casNumber "571-58-4";
dbo:formula "C12H12";
dbo:inchi "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3";
dbo:iupacName "1,4-Dimethylnaphthalene"@en;
dbo:pubchem "11304"^^xsd:int;
dbo:smiles "CC1=CC=C(C2=CC=CC=C12)C";
dbp:inchikey "APQSQLNWAIULLK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "14DC1yNaf";
skos:prefLabel "1,4-dimethylnaftaleen"@nl .
csc:SKBBQSLSGRSQAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:13888;
dbo:casNumber "1009-61-6";
dbo:formula "C10H10O2";
dbo:inchi "InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3";
dbo:iupacName "1-(4-acetylphenyl)ethanone"@en;
dbo:pubchem "13888"^^xsd:int;
dbo:smiles "CC(=O)C1=CC=C(C=C1)C(=O)C";
dbp:inchikey "SKBBQSLSGRSQAJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004298;
skos:inScheme vlcs:chemische_stof;
skos:notation "14DactBen";
skos:prefLabel "1,4-diacetylbenzeen"@nl .
csc:GETQZCLCWQTVFV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1146;
dbo:casNumber "75-50-3" , "4558-12-7";
dbo:formula "C3H9N";
dbo:inchi "InChI=1S/C3H9N/c1-4(2)3/h1-3H3";
dbo:iupacName "N,N-dimethylmethanamine"@en;
dbo:pubchem "1146"^^xsd:int;
dbo:smiles "CN(C)C";
dbp:inchikey "GETQZCLCWQTVFV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002239;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC1yAe";
skos:prefLabel "trimethylamine"@nl .
csc:BQENMISTWGTJIJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:51075;
dbo:casNumber "70424-69-0";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-3-1-2-6(4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H";
dbo:iupacName "1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene"@en;
dbo:pubchem "51075"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl";
dbp:inchikey "BQENMISTWGTJIJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB107";
skos:prefLabel "2,3,3',4,5-pentachloorbifenyl"@nl .
csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:18555;
dbo:casNumber "27900-75-0" , "3209-22-1";
dbo:formula "C6H3Cl2NO2";
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H";
dbo:iupacName "1,2-Dichloro-3-nitrobenzene"@en;
dbo:pubchem "18555"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]";
dbp:inchikey "CMVQZRLQEOAYSW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:exactMatch wise:CAS_3209-22-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "23DClNO2Ben";
skos:prefLabel "2,3-dichloornitrobenzeen"@nl .
csc:CXBDYQVECUFKRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12338;
dbo:casNumber "628-28-4";
dbo:formula "C5H12O";
dbo:inchi "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3";
dbo:iupacName "1-Methoxybutane"@en;
dbo:pubchem "12338"^^xsd:int;
dbo:smiles "CCCCOC";
dbp:inchikey "CXBDYQVECUFKRK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1oxC4a";
skos:prefLabel "1-methoxybutaan"@nl .
csc:FBOZXECLQNJBKD-ZDUSSCGKSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:126941;
dbo:casNumber "59-05-2";
dbo:formula "C20H22N8O5";
dbo:inchi "InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1";
dbo:iupacName "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid"@en;
dbo:pubchem "126941"^^xsd:int;
dbo:smiles "CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O";
dbp:inchikey "FBOZXECLQNJBKD-ZDUSSCGKSA-N";
skos:broader csc:CHEMONTID_0004323;
skos:inScheme vlcs:chemische_stof;
skos:notation "mettxt";
skos:prefLabel "methotrexaat"@nl .
csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:12007;
dbo:casNumber "615-65-6";
dbo:formula "C7H8ClN";
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3";
dbo:iupacName "2-Chloro-4-methylaniline"@en;
dbo:pubchem "12007"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)N)Cl";
dbp:inchikey "XGYLSRFSXKAYCR-UHFFFAOYSA-N";
skos:altLabel "2-chloor-para-toluïdine"@nl;
skos:broader csc:CHEMONTID_0003964;
skos:exactMatch wise:CAS_615-65-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl4C1yAn";
skos:prefLabel "2-chloor-4-methylaniline"@nl .
csc:PHSUVQBHRAWOQD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:37523;
dbo:casNumber "36756-79-3";
dbo:formula "C16H25NOS";
dbo:inchi "InChI=1S/C16H25NOS/c1-5-13(3)17(14(4)6-2)16(18)19-12-15-10-8-7-9-11-15/h7-11,13-14H,5-6,12H2,1-4H3";
dbo:iupacName "S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate"@en;
dbo:pubchem "37523"^^xsd:int;
dbo:smiles "CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1";
dbp:inchikey "PHSUVQBHRAWOQD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "tocbzl";
skos:prefLabel "tiocarbazil"@nl .
csc:RGCLLPNLLBQHPF-HJWRWDBZSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3032604;
dbo:casNumber "13171-21-6" , "23783-98-4";
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 "['(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '(3-chloro-4-diethylamino-4-oxobut-2-en-2-yl)oxy-hydroxy-dimethoxyphosphanium', '[(Z)-3-chloro-4-diethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']"@en;
dbo:pubchem "3032604"^^xsd:int;
dbo:smiles "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl";
dbp:inchikey "RGCLLPNLLBQHPF-HJWRWDBZSA-N";
skos:altLabel "cis-fosfamidon"@nl;
skos:broader csc:CHEMONTID_0003459;
skos:inScheme vlcs:chemische_stof;
skos:notation "cfosfmdn" , "fosfmdn";
skos:prefLabel "fosfamidon"@nl .
csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11335;
dbo:casNumber "1300-71-6" , "28449-96-9" , "50356-22-4" , "25134-01-4" , "576-26-1";
dbo:formula "C8H10O";
dbo:inchi "InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3";
dbo:iupacName "2,6-Dimethylphenol"@en;
dbo:pubchem "11335"^^xsd:int;
dbo:smiles "CC1=C(C(=CC=C1)C)O";
dbp:inchikey "NXXYKOUNUYWIHA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001274;
skos:exactMatch wise:CAS_576-26-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DC1yFol";
skos:prefLabel "2,6-dimethylfenol"@nl .
csc:RRLGETDMEIMLQU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:3032832;
dbo:casNumber "27176-93-8" , "106400-82-2";
dbo:formula "C19H32O3";
dbo:inchi "InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-11-18-12-9-10-13-19(18)22-17-16-21-15-14-20/h9-10,12-13,20H,2-8,11,14-17H2,1H3";
dbo:iupacName "2-[2-(2-nonylphenoxy)ethoxy]ethanol"@en;
dbo:pubchem "3032832"^^xsd:int;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCO";
dbp:inchikey "RRLGETDMEIMLQU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "NPEO2";
skos:prefLabel "nonylfenoldiethoxylaat"@nl .
csc:PRPINYUDVPFIRX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6862;
dbo:casNumber "26445-01-2" , "86-87-3" , "61913-11-9";
dbo:formula "C12H10O2";
dbo:inchi "InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)";
dbo:iupacName "2-naphthalen-1-ylacetic acid"@en;
dbo:pubchem "6862"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC(=O)O";
dbp:inchikey "PRPINYUDVPFIRX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "1NafHAc";
skos:prefLabel "1-naftaleenazijnzuur"@nl .
csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8800;
dbo:casNumber "150-68-5";
dbo:formula "C9H11ClN2O";
dbo:inchi "InChI=1S/C9H11ClN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)";
dbo:iupacName "3-(4-Chlorophenyl)-1,1-dimethylurea"@en;
dbo:pubchem "8800"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Cl";
dbp:inchikey "BMLIZLVNXIYGCK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:exactMatch wise:CAS_150-68-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "monrn";
skos:prefLabel "monuron"@nl .
csc:GNSFRPWPOGYVLO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:17694;
dbo:casNumber "78736-62-6" , "111173-57-0" , "2761-09-3" , "72146-59-9" , "55844-66-1" , "50858-50-9" , "39420-45-6" , "68298-92-0";
dbo:formula "C7H12O3";
dbo:inchi "InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3";
dbo:iupacName "3-hydroxypropyl 2-methylprop-2-enoate"@en;
dbo:pubchem "17694"^^xsd:int;
dbo:smiles "CC(=C)C(=O)OCCCO";
dbp:inchikey "GNSFRPWPOGYVLO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003626;
skos:inScheme vlcs:chemische_stof;
skos:notation "3HOC3ymtclt";
skos:prefLabel "3-hydroxypropylmethacrylaat"@nl .
csc:HTQMVQVXFRQIKW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2541;
dbo:casNumber "139481-59-7";
dbo:formula "C24H20N6O3";
dbo:inchi "InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)";
dbo:iupacName "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid"@en;
dbo:pubchem "2541"^^xsd:int;
dbo:smiles "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O";
dbp:inchikey "HTQMVQVXFRQIKW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000041;
skos:inScheme vlcs:chemische_stof;
skos:notation "candstn";
skos:prefLabel "candesartan"@nl .
csc:WIBFFTLQMKKBLZ-SEYXRHQNSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5354342;
dbo:casNumber "142-77-8";
dbo:formula "C22H42O2";
dbo:inchi "InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-";
dbo:iupacName "butyl (Z)-octadec-9-enoate"@en;
dbo:pubchem "5354342"^^xsd:int;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)OCCCC";
dbp:inchikey "WIBFFTLQMKKBLZ-SEYXRHQNSA-N";
skos:altLabel "(Z)-9-octadeceenzuur butylester"@nl;
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "Z-9C18ezrC4y";
skos:prefLabel "(z)-9-octadeceenzuur butylester"@nl .
csc:HUBANNPOLNYSAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:15553;
dbo:casNumber "1702-17-6";
dbo:formula "C6H3Cl2NO2";
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)";
dbo:iupacName "3,6-Dichloropyridine-2-carboxylic acid"@en;
dbo:pubchem "15553"^^xsd:int;
dbo:smiles "C1=CC(=NC(=C1Cl)C(=O)O)Cl";
dbp:inchikey "HUBANNPOLNYSAD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002414;
skos:exactMatch wise:CAS_1702-17-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "cloprld";
skos:prefLabel "clopyralid"@nl .
csc:PQKBPHSEKWERTG-LLVKDONJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:91707;
dbo:casNumber "71283-80-2";
dbo:formula "C18H16ClNO5";
dbo:inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3/t11-/m1/s1";
dbo:iupacName "ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate"@en;
dbo:pubchem "91707"^^xsd:int;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl";
dbp:inchikey "PQKBPHSEKWERTG-LLVKDONJSA-N";
skos:altLabel "fenoxaprop-p-ethyl"@nl;
skos:broader csc:CHEMONTID_0004677;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenxppPC2y";
skos:prefLabel "fenoxaprop-P-ethyl"@nl .
csc:VGEOUKPOQQEQSX-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:32325;
dbo:casNumber "21593-23-7";
dbo:formula "C17H16N3NaO6S2";
dbo:inchi "InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1";
dbo:iupacName "sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en;
dbo:pubchem "32325"^^xsd:int;
dbo:smiles "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]";
dbp:inchikey "VGEOUKPOQQEQSX-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004411;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "cefapirine"@nl .
csc:NCKMMSIFQUPKCK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8425;
dbo:casNumber "120-32-1" , "8013-49-8" , "144246-47-9";
dbo:formula "C13H11ClO";
dbo:inchi "InChI=1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2";
dbo:iupacName "4-Chloro-2-(phenylmethyl)phenol"@en;
dbo:pubchem "8425"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O";
dbp:inchikey "NCKMMSIFQUPKCK-UHFFFAOYSA-N";
skos:altLabel "4-chloor-2-benzylfenol"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clfn";
skos:prefLabel "chlorofeen"@nl .
csc:NHGXDBSUJJNIRV-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:70681;
dbo:casNumber "1112-67-0" , "25147-59-5";
dbo:formula "C16H36ClN";
dbo:inchi "InChI=1S/C16H36N.ClH/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 chloride"@en;
dbo:pubchem "70681"^^xsd:int;
dbo:smiles "CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]";
dbp:inchikey "NHGXDBSUJJNIRV-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4C4yNH4Cl";
skos:prefLabel "tetrabutylammoniumchloride"@nl .
csc:WWRCMNKATXZARA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:10703;
dbo:casNumber "40356-70-5" , "1329-98-2" , "8023-69-6" , "527-84-4" , "52857-36-0" , "25155-15-1";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3";
dbo:iupacName "1-methyl-2-propan-2-ylbenzene"@en;
dbo:pubchem "10703"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1C(C)C";
dbp:inchikey "WWRCMNKATXZARA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000355;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1y21C1yC2y";
skos:prefLabel "1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)"@nl .
csc:MCJGNVYPOGVAJF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:1923;
dbo:casNumber "24804-14-6" , "148-24-3" , "123574-67-4";
dbo:formula "C9H7NO";
dbo:inchi "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H";
dbo:iupacName "quinolin-8-ol"@en;
dbo:pubchem "1923"^^xsd:int;
dbo:smiles "C1=CC2=C(C(=C1)O)N=CC=C2";
dbp:inchikey "MCJGNVYPOGVAJF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003953;
skos:inScheme vlcs:chemische_stof;
skos:notation "8chinlnl";
skos:prefLabel "8-chinolinol"@nl .
csc:SVONRAPFKPVNKG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8095;
dbo:casNumber "111-15-9";
dbo:formula "C6H12O3";
dbo:inchi "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3";
dbo:iupacName "2-Ethoxyethyl acetate"@en;
dbo:pubchem "8095"^^xsd:int;
dbo:smiles "CCOCCOC(=O)C";
dbp:inchikey "SVONRAPFKPVNKG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2oxC2yactt";
skos:prefLabel "ethoxyethylacetaat"@nl .
csc:QQINRWTZWGJFDB-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:105063;
dbo:casNumber "14331-83-0";
dbo:formula "Ac";
dbo:inchi "InChI=1S/Ac/i1+1";
dbo:iupacName "actinium-228"@en;
dbo:pubchem "105063"^^xsd:int;
dbo:smiles "[Ac]";
dbp:inchikey "QQINRWTZWGJFDB-OUBTZVSYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ac228";
skos:prefLabel "actinium 228"@nl .
csc:BOTWFXYSPFMFNR-HMMYKYKNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5366244;
dbo:casNumber "102608-53-7";
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+";
dbo:iupacName "['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol']"@en;
dbo:pubchem "5366244"^^xsd:int;
dbo:smiles "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C";
dbp:inchikey "BOTWFXYSPFMFNR-HMMYKYKNSA-N";
skos:broader csc:CHEMONTID_0001357;
skos:inScheme vlcs:chemische_stof;
skos:notation "371115T4C1y2";
skos:prefLabel "3,7,11,15-tetramethyl-2-hexadecen-1-ol"@nl .
csc:JFALSRSLKYAFGM-NOHWODKXSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:177622;
dbo:casNumber "15700-08-0";
dbo:formula "U";
dbo:inchi "InChI=1S/U/i1-7";
dbo:iupacName "uranium-231"@en;
dbo:pubchem "177622"^^xsd:int;
dbo:smiles "[U]";
dbp:inchikey "JFALSRSLKYAFGM-NOHWODKXSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "U231";
skos:prefLabel "uranium 231"@nl .
csc:ZOWMRHVAQGTFTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:99813;
dbo:casNumber "10118-32-8";
dbo:formula "C62H85N11O16";
dbo:inchi "InChI=1S/C62H85N11O16/c1-28(2)43-59(83)72-23-17-19-38(72)57(81)68(13)26-41(75)70(15)49(30(5)6)61(85)87-34(11)45(55(79)64-43)66-53(77)36-22-21-32(9)51-47(36)63-48-37(25-40(74)33(10)52(48)89-51)54(78)67-46-35(12)88-62(86)50(31(7)8)71(16)42(76)27-69(14)58(82)39-20-18-24-73(39)60(84)44(29(3)4)65-56(46)80/h21-22,25,28-31,34-35,38-39,43-46,49-50H,17-20,23-24,26-27H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)";
dbo:iupacName "4,6-dimethyl-3-oxo-N,N'-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide"@en;
dbo:pubchem "99813"^^xsd:int;
dbo:smiles "CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C";
dbp:inchikey "ZOWMRHVAQGTFTG-UHFFFAOYSA-N";
skos:altLabel "2-deaminoactinomycine d"@nl;
skos:broader csc:CHEMONTID_0001994;
skos:inScheme vlcs:chemische_stof;
skos:notation "2dAoatnmcnD";
skos:prefLabel "2-deaminoactinomycine D"@nl .
csc:ZMWGIGHRZQTQRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16002;
dbo:casNumber "1929-73-3";
dbo:formula "C14H18Cl2O4";
dbo:inchi "InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3";
dbo:iupacName "2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate"@en;
dbo:pubchem "16002"^^xsd:int;
dbo:smiles "CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "ZMWGIGHRZQTQRE-UHFFFAOYSA-N";
skos:altLabel "2,4-D butoxyethylester"@nl;
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DC4oxC2yEs";
skos:prefLabel "2,4-d butoxyethylester"@nl .
csc:PQKBPHSEKWERTG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:47938;
dbo:casNumber "66441-23-4" , "87714-45-2" , "82110-72-3";
dbo:formula "C18H16ClNO5";
dbo:inchi "InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3";
dbo:iupacName "ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate"@en;
dbo:pubchem "47938"^^xsd:int;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl";
dbp:inchikey "PQKBPHSEKWERTG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004677;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenOapC2y";
skos:prefLabel "fenoxaprop-ethyl"@nl .
csc:MGNCLNQXLYJVJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7954;
dbo:casNumber "190086-22-7" , "108-77-0";
dbo:formula "C3Cl3N3";
dbo:inchi "InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1";
dbo:iupacName "2,4,6-Trichloro-1,3,5-triazine"@en;
dbo:pubchem "7954"^^xsd:int;
dbo:smiles "C1(=NC(=NC(=N1)Cl)Cl)Cl";
dbp:inchikey "MGNCLNQXLYJVJD-UHFFFAOYSA-N";
skos:altLabel "cyanuurzuurchloride"@nl;
skos:broader csc:CHEMONTID_0004721;
skos:inScheme vlcs:chemische_stof;
skos:notation "CNuzCl";
skos:prefLabel "2,4,6-trichloor-1,3,5-triazine"@nl .
csc:RWSOTUBLDIXVET-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II Art. 5.7.14.1"@nl , "VLAR II Art. 5.28.3.5.1 'H2S'"@nl , "VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'"@nl , "VLAREM II bijlage 4.4.2 'zwavelwaterstof'"@nl , "VLAR III (D3) 'zwavelwaterstof'"@nl;
rdfs:seeAlso compound:402;
dbo:casNumber "12684-31-0" , "56591-09-4" , "11144-15-3" , "56645-30-8" , "8050-82-6" , "12673-82-4" , "81032-32-8" , "56449-52-6" , "63705-05-5" , "7783-06-4" , "13465-07-1" , "57035-13-9" , "12767-24-7";
dbo:formula "H2S";
dbo:inchi "InChI=1S/H2S/h1H2";
dbo:iupacName "hydrogen sulfide"@en;
dbo:pubchem "402"^^xsd:int;
dbo:smiles "S";
dbp:inchikey "RWSOTUBLDIXVET-UHFFFAOYSA-N";
skos:altLabel "waterstofsulfide (H2S)"@nl , "octylzwavel"@nl;
skos:broader csc:CHEMONTID_0000555;
skos:exactMatch wise:CAS_7783-06-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "H2S" , "S8";
skos:prefLabel "waterstofsulfide"@nl .
csc:UREBDLICKHMUKA-CXSFZGCWSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5743;
dbo:casNumber "23495-06-9" , "50-02-2" , "8054-59-9" , "137098-19-2";
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+/m1/s1";
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16R,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 "5743"^^xsd:int;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C";
dbp:inchikey "UREBDLICKHMUKA-CXSFZGCWSA-N";
skos:broader csc:CHEMONTID_0003095;
skos:inScheme vlcs:chemische_stof;
skos:notation "dexmtsn";
skos:prefLabel "dexamethason"@nl .
csc:ZMXIYERNXPIYFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:14315;
dbo:casNumber "1127-76-0" , "27138-19-8";
dbo:formula "C12H12";
dbo:inchi "InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3";
dbo:iupacName "1-Ethylnaphthalene"@en;
dbo:pubchem "14315"^^xsd:int;
dbo:smiles "CCC1=CC=CC2=CC=CC=C21";
dbp:inchikey "ZMXIYERNXPIYFR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C2yNaf";
skos:prefLabel "1-ethylnaftaleen"@nl .
csc:YNWVFADWVLCOPU-MDWZMJQESA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6436604;
dbo:casNumber "76714-83-5" , "83657-22-1";
dbo:formula "C15H18ClN3O";
dbo:inchi "InChI=1S/C15H18ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-10,14,20H,1-3H3/b13-8+";
dbo:iupacName "(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol"@en;
dbo:pubchem "6436604"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O";
dbp:inchikey "YNWVFADWVLCOPU-MDWZMJQESA-N";
skos:broader csc:CHEMONTID_0002754;
skos:inScheme vlcs:chemische_stof;
skos:notation "uncnzl";
skos:prefLabel "uniconazool"@nl .
csc:ISXSCDLOGDJUNJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:15458;
dbo:casNumber "1663-39-4" , "782475-36-9";
dbo:formula "C7H12O2";
dbo:inchi "InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3";
dbo:iupacName "tert-butyl prop-2-enoate"@en;
dbo:pubchem "15458"^^xsd:int;
dbo:smiles "CC(C)(C)OC(=O)C=C";
dbp:inchikey "ISXSCDLOGDJUNJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004452;
skos:inScheme vlcs:chemische_stof;
skos:notation "ttC4yaclt";
skos:prefLabel "tertiair-butylacrylaat"@nl .
csc:UZUFPBIDKMEQEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:67821;
dbo:casNumber "375-95-1";
dbo:formula "C9HF17O2";
dbo:inchi "InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)";
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid"@en;
dbo:pubchem "67821"^^xsd:int;
dbo:smiles "C(=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)O";
dbp:inchikey "UZUFPBIDKMEQEQ-UHFFFAOYSA-N";
skos:altLabel "perfluornonaanzuur"@nl , "perfluor-n-nonaanzuur (pfna)"@nl , "perfluor-n-nonaanzuur"@nl;
skos:broader csc:CHEMONTID_0003958;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFNA";
skos:prefLabel "perfluornonaanzuur (pfna)"@nl .
csc:XRHVZWWRFMCBAZ-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8519;
dbo:casNumber "11096-76-7" , "145-73-3" , "129-67-9";
dbo:formula "C8H8Na2O5";
dbo:inchi "InChI=1S/C8H10O5.2Na/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2";
dbo:iupacName "disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate"@en;
dbo:pubchem "8519"^^xsd:int;
dbo:smiles "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]";
dbp:inchikey "XRHVZWWRFMCBAZ-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0000346;
skos:inScheme vlcs:chemische_stof;
skos:notation "endtl";
skos:prefLabel "endothal"@nl .
csc:FZXISNSWEXTPMF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:22206;
dbo:casNumber "63026-57-3" , "5915-41-3";
dbo:formula "C9H16ClN5";
dbo:inchi "InChI=1S/C9H16ClN5/c1-5-11-7-12-6(10)13-8(14-7)15-9(2,3)4/h5H2,1-4H3,(H2,11,12,13,14,15)";
dbo:iupacName "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "22206"^^xsd:int;
dbo:smiles "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C";
dbp:inchikey "FZXISNSWEXTPMF-UHFFFAOYSA-N";
skos:altLabel "terbuthylazine"@nl;
skos:broader csc:CHEMONTID_0001693;
skos:exactMatch wise:CAS_5915-41-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "terC4yazne";
skos:prefLabel "terbutylazine"@nl .
csc:IISBACLAFKSPIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6623;
dbo:casNumber "37808-08-5" , "27360-89-0" , "137885-53-1" , "27100-33-0" , "28106-82-3" , "80-05-7";
dbo:formula "C15H16O2";
dbo:inchi "InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3";
dbo:iupacName "4-[2-(4-hydroxyphenyl)propan-2-yl]phenol"@en;
dbo:pubchem "6623"^^xsd:int;
dbo:smiles "CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O";
dbp:inchikey "IISBACLAFKSPIT-UHFFFAOYSA-N";
skos:altLabel "bisfenol-a"@nl , "bisfenol a"@nl;
skos:broader csc:CHEMONTID_0000143;
skos:exactMatch wise:CAS_80-05-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "bisFolA";
skos:prefLabel "bisfenol-A"@nl .
csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7463;
dbo:casNumber "99-87-6" , "4939-75-7";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3";
dbo:iupacName "1-methyl-4-propan-2-ylbenzene"@en;
dbo:pubchem "7463"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)C(C)C";
dbp:inchikey "HFPZCAJZSCWRBC-UHFFFAOYSA-N";
skos:altLabel "p-isopropyltolueen"@nl , "para-isopropyltolueen"@nl;
skos:broader csc:CHEMONTID_0000051;
skos:exactMatch wise:CAS_99-87-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "1iC3y4C1yBen";
skos:prefLabel "1-isopropyl-4-methyl-benzeen"@nl .
csc:YKAVHPRGGAUFDN-JTQLBUQXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:83949;
dbo:casNumber "23893-13-2";
dbo:formula "C37H65NO12";
dbo:inchi "InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1";
dbo:iupacName "(1S,2R,3R,4S,5R,8R,9S,10S,11R,12R,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3-hydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15,16-trioxatricyclo[10.2.1.11,4]hexadecan-7-one"@en;
dbo:pubchem "83949"^^xsd:int;
dbo:smiles "CCC1C2(C(C(C3(O2)C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)C)O)C";
dbp:inchikey "YKAVHPRGGAUFDN-JTQLBUQXSA-N";
skos:broader csc:CHEMONTID_0000282;
skos:inScheme vlcs:chemische_stof;
skos:notation "anHertmcne";
skos:prefLabel "anhydro-erythromycine"@nl .
csc:KUCPUSUXIGWHFB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:70535;
dbo:casNumber "6381-06-2" , "1011-95-6";
dbo:formula "C12H10Sn";
dbo:inchi "InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;";
dbo:iupacName "di(phenyl)tin"@en;
dbo:pubchem "70535"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)[Sn]C2=CC=CC=C2";
dbp:inchikey "KUCPUSUXIGWHFB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "difenyltin"@nl .
csc:NUKZAGXMHTUAFE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7824;
dbo:casNumber "106-70-7";
dbo:formula "C7H14O2";
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3";
dbo:iupacName "Methyl hexanoate"@en;
dbo:pubchem "7824"^^xsd:int;
dbo:smiles "CCCCCC(=O)OC";
dbp:inchikey "NUKZAGXMHTUAFE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003417;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yC6yat";
skos:prefLabel "methylhexylaat"@nl .
csc:OYEHPCDNVJXUIW-AHCXROLUSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:104728;
dbo:casNumber "14119-33-6";
dbo:formula "Pu";
dbo:inchi "InChI=1S/Pu/i1-4";
dbo:iupacName "plutonium-240"@en;
dbo:pubchem "104728"^^xsd:int;
dbo:smiles "[Pu]";
dbp:inchikey "OYEHPCDNVJXUIW-AHCXROLUSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Pu240";
skos:prefLabel "plutonium 240"@nl .
csc:LFNLGNPSGWYGGD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23933;
dbo:casNumber "22537-61-7" , "22541-66-8" , "7439-99-8";
dbo:formula "Np";
dbo:inchi "InChI=1S/Np";
dbo:iupacName "NEPTUNIUM"@en;
dbo:pubchem "23933"^^xsd:int;
dbo:smiles "[Np]";
dbp:inchikey "LFNLGNPSGWYGGD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Np";
skos:prefLabel "neptunium"@nl .
csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:4130;
dbo:casNumber "37359-35-6" , "298-00-0" , "63653-66-7";
dbo:formula "C8H10NO5PS";
dbo:inchi "InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3";
dbo:iupacName "dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane"@en;
dbo:pubchem "4130"^^xsd:int;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]";
dbp:inchikey "RLBIQVVOMOPOHC-UHFFFAOYSA-N";
skos:altLabel "methylparathion"@nl;
skos:broader csc:CHEMONTID_0004748;
skos:exactMatch wise:CAS_298-00-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yprton";
skos:prefLabel "parathion-methyl"@nl .
csc:KLMCZVJOEAUDNE-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6337087;
dbo:casNumber "15756-98-6";
dbo:formula "Fr";
dbo:inchi "InChI=1S/Fr/i1+0";
dbo:iupacName "francium-223"@en;
dbo:pubchem "6337087"^^xsd:int;
dbo:smiles "[Fr]";
dbp:inchikey "KLMCZVJOEAUDNE-IGMARMGPSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fr223";
skos:prefLabel "francium 223"@nl .
csc:BDOSMKKIYDKNTQ-OIOBTWANSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:104782;
dbo:casNumber "14109-32-1";
dbo:formula "Cd";
dbo:inchi "InChI=1S/Cd/i1-3";
dbo:iupacName "cadmium-109"@en;
dbo:pubchem "104782"^^xsd:int;
dbo:smiles "[Cd]";
dbp:inchikey "BDOSMKKIYDKNTQ-OIOBTWANSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cd109";
skos:prefLabel "cadmium 109"@nl .
csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:95170;
dbo:casNumber "5436-43-1";
dbo:formula "C12H6Br4O";
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6H";
dbo:iupacName "2,4-dibromo-1-(2,4-dibromophenoxy)benzene"@en;
dbo:pubchem "95170"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br";
dbp:inchikey "XYBSIYMGXVUVGY-UHFFFAOYSA-N";
skos:altLabel "bde 47"@nl , "2,2',4,4'-tetrabroomdifenylether"@nl;
skos:broader csc:CHEMONTID_0001845;
skos:exactMatch wise:CAS_5436-43-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "PBDE47";
skos:prefLabel "2,2',4,4'-tetrabroomdifenylether (bde47)"@nl .
csc:DYQBMRZOOXYHIM-NCKOGSTASA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5282243;
dbo:casNumber "64-75-5";
dbo:formula "C22H25ClN2O8";
dbo:inchi "InChI=1S/C22H24N2O8.ClH/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;/h4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;1H/b20-14-;/t9-,10-,15-,21+,22-;/m0./s1";
dbo:iupacName "(2Z,4S,4aS,5aS,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-6,10,11,12a-tetrahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione hydrochloride"@en;
dbo:pubchem "5282243"^^xsd:int;
dbo:smiles "CC1(C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O.Cl";
dbp:inchikey "DYQBMRZOOXYHIM-NCKOGSTASA-N";
skos:inScheme vlcs:chemische_stof;
skos:notation "T4cycnHCl";
skos:prefLabel "tetracycline hydrochloride"@nl .
csc:IJFPVINAQGWBRJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:33934;
dbo:casNumber "71097-28-4" , "1330-91-2" , "27554-26-3" , "25103-50-8" , "41375-90-0";
dbo:formula "C24H38O4";
dbo:inchi "InChI=1S/C24H38O4/c1-19(2)13-7-5-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-12-6-8-14-20(3)4/h9-10,15-16,19-20H,5-8,11-14,17-18H2,1-4H3";
dbo:iupacName "bis(6-methylheptyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "33934"^^xsd:int;
dbo:smiles "CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C";
dbp:inchikey "IJFPVINAQGWBRJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "DiC8yFt";
skos:prefLabel "di-isooctylftalaat"@nl .
csc:IPRJXAGUEGOFGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:19241;
dbo:casNumber "3622-84-2";
dbo:formula "C10H15NO2S";
dbo:inchi "InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3";
dbo:iupacName "N-BUTYLBENZENESULFONAMIDE"@en;
dbo:pubchem "19241"^^xsd:int;
dbo:smiles "CCCCNS(=O)(=O)C1=CC=CC=C1";
dbp:inchikey "IPRJXAGUEGOFGG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "C4yBensfAd";
skos:prefLabel "butylbenzeensulfonamide"@nl .
csc:OSUHJPCHFDQAIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:53518;
dbo:casNumber "89468-49-5" , "76578-14-8";
dbo:formula "C19H17ClN2O4";
dbo:inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3";
dbo:iupacName "ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en;
dbo:pubchem "53518"^^xsd:int;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl";
dbp:inchikey "OSUHJPCHFDQAIT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004677;
skos:inScheme vlcs:chemische_stof;
skos:notation "quizlfC2y";
skos:prefLabel "quizalofop-ethyl"@nl .
csc:GUMCAKKKNKYFEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12487;
dbo:casNumber "636-30-6";
dbo:formula "C6H4Cl3N";
dbo:inchi "InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2";
dbo:iupacName "2,4,5-Trichloroaniline"@en;
dbo:pubchem "12487"^^xsd:int;
dbo:smiles "C1=C(C(=CC(=C1Cl)Cl)Cl)N";
dbp:inchikey "GUMCAKKKNKYFEB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "245TClAn";
skos:prefLabel "2,4,5-trichlooraniline"@nl .
csc:SMDHCQAYESWHAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2319;
dbo:casNumber "1861-40-1";
dbo:formula "C13H16F3N3O4";
dbo:inchi "InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3";
dbo:iupacName "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline"@en;
dbo:pubchem "2319"^^xsd:int;
dbo:smiles "CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]";
dbp:inchikey "SMDHCQAYESWHAE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003968;
skos:exactMatch wise:CAS_1861-40-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "benfn";
skos:prefLabel "benefin"@nl .
csc:LMVPQMGRYSRMIW-KRWDZBQOSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:10403199;
dbo:casNumber "161326-34-7";
dbo:formula "C17H17N3OS";
dbo:inchi "InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1";
dbo:iupacName "(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one"@en;
dbo:pubchem "10403199"^^xsd:int;
dbo:smiles "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3";
dbp:inchikey "LMVPQMGRYSRMIW-KRWDZBQOSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenmdn";
skos:prefLabel "fenamidon"@nl .
csc:JTEDVYBZBROSJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8617;
dbo:casNumber "133-32-4" , "111150-79-9" , "65216-51-5";
dbo:formula "C12H13NO2";
dbo:inchi "InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)";
dbo:iupacName "4-(1H-indol-3-yl)butanoic acid"@en;
dbo:pubchem "8617"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O";
dbp:inchikey "JTEDVYBZBROSJT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004196;
skos:inScheme vlcs:chemische_stof;
skos:notation "indlbtzr";
skos:prefLabel "indolylboterzuur"@nl .
csc:VHUUQVKOLVNVRT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:14923;
dbo:casNumber "16393-49-0" , "1336-21-6" , "125888-87-1" , "132103-60-7";
dbo:formula "H5NO";
dbo:inchi "InChI=1S/H3N.H2O/h1H3;1H2";
dbo:iupacName "azanium hydroxide"@en;
dbo:pubchem "14923"^^xsd:int;
dbo:smiles "[NH4+].[OH-]";
dbp:inchikey "VHUUQVKOLVNVRT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001055;
skos:inScheme vlcs:chemische_stof;
skos:notation "NH4OH";
skos:prefLabel "ammoniumhydroxide"@nl .
csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2764;
dbo:casNumber "85721-33-1";
dbo:formula "C17H18FN3O3";
dbo:inchi "InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)";
dbo:iupacName "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid"@en;
dbo:pubchem "2764"^^xsd:int;
dbo:smiles "C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O";
dbp:inchikey "MYSWGUAQZAJSOK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002552;
skos:exactMatch wise:CAS_85721-33-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "cipfxcne";
skos:prefLabel "ciprofloxacine"@nl .
csc:ZJMWRROPUADPEA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8680;
dbo:casNumber "135-98-8" , "36383-15-0" , "68411-44-9" , "5787-28-0";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3";
dbo:iupacName "butan-2-ylbenzene"@en;
dbo:pubchem "8680"^^xsd:int;
dbo:smiles "CCC(C)C1=CC=CC=C1";
dbp:inchikey "ZJMWRROPUADPEA-UHFFFAOYSA-N";
skos:altLabel "butylbenzeen (vertakt en lineair)"@nl , "sec-butylbenzeen"@nl;
skos:broader csc:CHEMONTID_0002811;
skos:exactMatch wise:CAS_135-98-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "sC4yBen" , "secC4yBen";
skos:prefLabel "secundair-butylbenzeen"@nl .
csc:GWLLTEXUIOFAFE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:32241;
dbo:casNumber "24157-81-1";
dbo:formula "C16H20";
dbo:inchi "InChI=1S/C16H20/c1-11(2)13-5-7-16-10-14(12(3)4)6-8-15(16)9-13/h5-12H,1-4H3";
dbo:iupacName "2,6-di(propan-2-yl)naphthalene"@en;
dbo:pubchem "32241"^^xsd:int;
dbo:smiles "CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C";
dbp:inchikey "GWLLTEXUIOFAFE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DiC3yNaf";
skos:prefLabel "2,6-diisopropylnaftaleen"@nl .
csc:FSAVDKDHPDSCTO-XYOKQWHBSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5377791;
dbo:casNumber "18708-86-6";
dbo:formula "C12H14Cl3O4P";
dbo:inchi "InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+";
dbo:iupacName "[(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate"@en;
dbo:pubchem "5377791"^^xsd:int;
dbo:smiles "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "FSAVDKDHPDSCTO-XYOKQWHBSA-N";
skos:altLabel "beta-chloorfenvinfos"@nl;
skos:broader csc:CHEMONTID_0002564;
skos:exactMatch wise:CAS_18708-86-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "bClfvfs";
skos:prefLabel "trans-chloorfenvinfos"@nl .
csc:CSWIKHNSBZVWNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6450826;
dbo:casNumber "106700-29-2";
dbo:formula "C16H22ClNO2";
dbo:inchi "InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3";
dbo:iupacName "2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide"@en;
dbo:pubchem "6450826"^^xsd:int;
dbo:smiles "CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1";
dbp:inchikey "CSWIKHNSBZVWNQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "petoamd";
skos:prefLabel "pethoxamid"@nl .
csc:FEVBMCJUKWWWBT-BNIOFCGNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6442256;
dbo:casNumber "154037-70-4";
dbo:formula "C52H71N7O12";
dbo:inchi "InChI=1S/C52H71N7O12/c1-29(2)25-40-50(66)58-44(52(69)70)33(6)46(62)56-41(27-36-17-13-11-14-18-36)49(65)54-38(22-21-30(3)26-31(4)42(71-10)28-37-19-15-12-16-20-37)32(5)45(61)55-39(51(67)68)23-24-43(60)59(9)35(8)48(64)53-34(7)47(63)57-40/h11-22,26,29,31-34,38-42,44H,8,23-25,27-28H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,61)(H,56,62)(H,57,63)(H,58,66)(H,67,68)(H,69,70)/b22-21+,30-26+";
dbo:iupacName "18-[(1E,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-15-(phenylmethyl)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid"@en;
dbo:pubchem "6442256"^^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=CC=C2)C=CC(=CC(C)C(CC3=CC=CC=C3)OC)C";
dbp:inchikey "FEVBMCJUKWWWBT-BNIOFCGNSA-N";
skos:altLabel "microcystine-LF"@nl;
skos:broader csc:CHEMONTID_0002010;
skos:inScheme vlcs:chemische_stof;
skos:notation "MC-LF";
skos:prefLabel "microcystine-lf"@nl .
csc:XDOTVMNBCQVZKG-MKICQXMISA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:9601227;
dbo:casNumber "59669-26-0" , "65154-62-3" , "72424-66-9" , "78876-59-2";
dbo:formula "C10H18N4O4S3";
dbo:inchi "InChI=1S/C10H18N4O4S3/c1-7(19-5)11-17-9(15)13(3)21-14(4)10(16)18-12-8(2)20-6/h1-6H3/b11-7+,12-8+";
dbo:iupacName "(1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate"@en;
dbo:pubchem "9601227"^^xsd:int;
dbo:smiles "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC";
dbp:inchikey "XDOTVMNBCQVZKG-MKICQXMISA-N";
skos:broader csc:CHEMONTID_0000364;
skos:inScheme vlcs:chemische_stof;
skos:notation "toDcb";
skos:prefLabel "thiodicarb"@nl .
csc:MHAJPDPJQMAIIY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:784;
dbo:casNumber "7722-84-1" , "37355-84-3" , "8007-30-5" , "66554-50-5" , "218625-72-0";
dbo:formula "H2O2";
dbo:inchi "InChI=1S/H2O2/c1-2/h1-2H";
dbo:iupacName "hydrogen peroxide"@en;
dbo:pubchem "784"^^xsd:int;
dbo:smiles "OO";
dbp:inchikey "MHAJPDPJQMAIIY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000434;
skos:inScheme vlcs:chemische_stof;
skos:notation "H2O2";
skos:prefLabel "waterstofperoxide"@nl .
csc:TTZLKXKJIMOHHG-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13762;
dbo:casNumber "63449-41-2" , "965-32-2";
dbo:formula "C19H34ClN";
dbo:inchi "InChI=1S/C19H34N.ClH/c1-4-5-6-7-8-9-10-14-17-20(2,3)18-19-15-12-11-13-16-19;/h11-13,15-16H,4-10,14,17-18H2,1-3H3;1H/q+1;/p-1";
dbo:iupacName "benzyl-decyl-dimethylazanium chloride"@en;
dbo:pubchem "13762"^^xsd:int;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]";
dbp:inchikey "TTZLKXKJIMOHHG-UHFFFAOYSA-M";
skos:altLabel "benzyldimethyldecylammoniumchloride"@nl , "C8-C18-alkylbenzyldimethylammoniumchloride"@nl;
skos:broader csc:CHEMONTID_0003977;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzDC1yC10y" , "C8C18akbzDC1";
skos:prefLabel "c8-c18-alkylbenzyldimethylammoniumchloride"@nl .
csc:IUJDSEJGGMCXSG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:1244;
dbo:casNumber "76-75-5" , "59709-53-4";
dbo:formula "C11H18N2O2S";
dbo:inchi "InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)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-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione"@en;
dbo:pubchem "1244"^^xsd:int;
dbo:smiles "CCCC(C)C1(C(=O)NC(=NC1=O)S)CC";
dbp:inchikey "IUJDSEJGGMCXSG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001122;
skos:inScheme vlcs:chemische_stof;
skos:notation "toptl";
skos:prefLabel "thiopental"@nl .
csc:ZZUFCTLCJUWOSV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3440;
dbo:casNumber "54-31-9";
dbo:formula "C12H11ClN2O5S";
dbo:inchi "InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)";
dbo:iupacName "4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid"@en;
dbo:pubchem "3440"^^xsd:int;
dbo:smiles "C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl";
dbp:inchikey "ZZUFCTLCJUWOSV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001925;
skos:inScheme vlcs:chemische_stof;
skos:notation "fursmde";
skos:prefLabel "furosemide"@nl .
csc:UXADOQPNKNTIHB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:73670;
dbo:casNumber "88025-82-5" , "74115-24-5";
dbo:formula "C14H8Cl2N4";
dbo:inchi "InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H";
dbo:iupacName "3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine"@en;
dbo:pubchem "73670"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl";
dbp:inchikey "UXADOQPNKNTIHB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "chloftzn";
skos:prefLabel "chlofentezin"@nl .
csc:PLDUPXSUYLZYBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3372;
dbo:casNumber "69-23-8" , "47646-09-3";
dbo:formula "C22H26F3N3OS";
dbo:inchi "InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2";
dbo:iupacName "2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol"@en;
dbo:pubchem "3372"^^xsd:int;
dbo:smiles "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO";
dbp:inchikey "PLDUPXSUYLZYBN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000310;
skos:inScheme vlcs:chemische_stof;
skos:notation "flufnzne";
skos:prefLabel "flufenazine"@nl .
csc:XCSGHNKDXGYELG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7713;
dbo:casNumber "104-66-5";
dbo:formula "C14H14O2";
dbo:inchi "InChI=1S/C14H14O2/c1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14/h1-10H,11-12H2";
dbo:iupacName "2-(phenoxy)ethoxybenzene"@en;
dbo:pubchem "7713"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)OCCOC2=CC=CC=C2";
dbp:inchikey "XCSGHNKDXGYELG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DfenOxC2a";
skos:prefLabel "1,2-difenoxyethaan"@nl .
csc:JEEQUUSFXYRPRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:85927;
dbo:casNumber "15869-94-0";
dbo:formula "C10H22";
dbo:inchi "InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3";
dbo:iupacName "3,6-Dimethyloctane"@en;
dbo:pubchem "85927"^^xsd:int;
dbo:smiles "CCC(C)CCC(C)CC";
dbp:inchikey "JEEQUUSFXYRPRK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "36DC1yC8a";
skos:prefLabel "3,6-dimethyloctaan"@nl .
csc:GCSHTDCBGCURHU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:138394354;
dbo:casNumber "39492-88-1";
dbo:formula "C4HF7O4";
dbo:inchi "InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)";
dbo:iupacName "2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid"@en;
dbo:pubchem "138394354"^^xsd:int;
dbo:smiles "C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O";
dbp:inchikey "GCSHTDCBGCURHU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFO2HxA";
skos:prefLabel "perfluor-3,5-dioxahexaanzuur "@nl .
csc:POOSGDOYLQNASK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:12592;
dbo:casNumber "646-31-1";
dbo:formula "C24H50";
dbo:inchi "InChI=1S/C24H50/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3";
dbo:iupacName "Tetracosane"@en;
dbo:pubchem "12592"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCC";
dbp:inchikey "POOSGDOYLQNASK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C24a";
skos:prefLabel "tetracosaan"@nl .
csc:KKOYBOFPUBHPFO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:25355;
dbo:casNumber "10548-10-4";
dbo:formula "C9H21O3PS3";
dbo:inchi "InChI=1S/C9H21O3PS3/c1-6-11-13(14,12-7-2)15-8-16(10)9(3,4)5/h6-8H2,1-5H3";
dbo:iupacName "tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "25355"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)C(C)(C)C";
dbp:inchikey "KKOYBOFPUBHPFO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:inScheme vlcs:chemische_stof;
skos:notation "terbfSO";
skos:prefLabel "terbufos-sulfoxide"@nl .
csc:XNLICIUVMPYHGG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7895;
dbo:casNumber "27154-67-2" , "107-87-9";
dbo:formula "C5H10O";
dbo:inchi "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3";
dbo:iupacName "Pentan-2-one"@en;
dbo:pubchem "7895"^^xsd:int;
dbo:smiles "CCCC(=O)C";
dbp:inchikey "XNLICIUVMPYHGG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C5on";
skos:prefLabel "2-pentanon"@nl .
csc:DNJIEGIFACGWOD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6343;
dbo:casNumber "75-08-1" , "811-51-8";
dbo:formula "C2H6S";
dbo:inchi "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3";
dbo:iupacName "Ethanethiol"@en;
dbo:pubchem "6343"^^xsd:int;
dbo:smiles "CCS";
dbp:inchikey "DNJIEGIFACGWOD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001212;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2atol";
skos:prefLabel "ethaanthiol"@nl .
csc:ZSLUVFAKFWKJRC-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:61723;
dbo:casNumber "14269-63-7";
dbo:formula "Th";
dbo:inchi "InChI=1S/Th/i1-2";
dbo:iupacName "thorium-230"@en;
dbo:pubchem "61723"^^xsd:int;
dbo:smiles "[Th]";
dbp:inchikey "ZSLUVFAKFWKJRC-YPZZEJLDSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Th230";
skos:prefLabel "thorium 230"@nl .
csc:MEBQXILRKZHVCX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13709;
dbo:casNumber "950-37-8";
dbo:formula "C6H11N2O4PS3";
dbo:inchi "InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3";
dbo:iupacName "3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one"@en;
dbo:pubchem "13709"^^xsd:int;
dbo:smiles "COC1=NN(C(=O)S1)CSP(=S)(OC)OC";
dbp:inchikey "MEBQXILRKZHVCX-UHFFFAOYSA-N";
skos:altLabel "methidathion"@nl;
skos:broader csc:CHEMONTID_0004770;
skos:exactMatch wise:CAS_950-37-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "metdton";
skos:prefLabel "methidation"@nl .
csc:QPLDLSVMHZLSFG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:14829;
dbo:casNumber "1317-38-0" , "185461-92-1";
dbo:formula "CuO";
dbo:inchi "InChI=1S/Cu.O";
dbo:iupacName "oxocopper"@en;
dbo:pubchem "14829"^^xsd:int;
dbo:smiles "O=[Cu]";
dbp:inchikey "QPLDLSVMHZLSFG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000538;
skos:inScheme vlcs:chemische_stof;
skos:notation "CuO";
skos:prefLabel "koperoxide"@nl .
csc:KNKRKFALVUDBJE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6564;
dbo:casNumber "26198-63-0" , "78-87-5" , "68390-96-5";
dbo:formula "C3H6Cl2";
dbo:inchi "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3";
dbo:iupacName "1,2-Dichloropropane"@en;
dbo:pubchem "6564"^^xsd:int;
dbo:smiles "CC(CCl)Cl";
dbp:inchikey "KNKRKFALVUDBJE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:exactMatch wise:CAS_78-87-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DClC3a";
skos:prefLabel "1,2-dichloorpropaan"@nl .
csc:WYWIFABBXFUGLM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:4636;
dbo:casNumber "1491-59-4";
dbo:formula "C16H24N2O";
dbo:inchi "InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)";
dbo:iupacName "6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol"@en;
dbo:pubchem "4636"^^xsd:int;
dbo:smiles "CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C";
dbp:inchikey "WYWIFABBXFUGLM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004212;
skos:inScheme vlcs:chemische_stof;
skos:notation "Oxmtzlne";
skos:prefLabel "oxymetazoline"@nl .
csc:XJCLWVXTCRQIDI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7216;
dbo:casNumber "95-06-7";
dbo:formula "C8H14ClNS2";
dbo:inchi "InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3";
dbo:iupacName "2-chloroprop-2-enyl diethylaminomethanedithioate"@en;
dbo:pubchem "7216"^^xsd:int;
dbo:smiles "CCN(CC)C(=S)SCC(=C)Cl";
dbp:inchikey "XJCLWVXTCRQIDI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003936;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulfalt";
skos:prefLabel "sulfallaat"@nl .
csc:NJIZUWGMNCUKGU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:64952;
dbo:casNumber "5572-57-6" , "127-74-2";
dbo:formula "C12H12N4O3S";
dbo:inchi "InChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)";
dbo:iupacName "N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide"@en;
dbo:pubchem "64952"^^xsd:int;
dbo:smiles "CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2";
dbp:inchikey "NJIZUWGMNCUKGU-UHFFFAOYSA-N";
skos:altLabel "N(4)-acetylsulfadiazine"@nl;
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "N4actsfdazne";
skos:prefLabel "n(4)-acetylsulfadiazine"@nl .
csc:RFCAUADVODFSLZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6430;
dbo:casNumber "76-15-3" , "12770-91-1";
dbo:formula "C2ClF5";
dbo:inchi "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8";
dbo:iupacName "1-Chloro-1,1,2,2,2-pentafluoroethane"@en;
dbo:pubchem "6430"^^xsd:int;
dbo:smiles "C(C(F)(F)Cl)(F)(F)F";
dbp:inchikey "RFCAUADVODFSLZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004521;
skos:inScheme vlcs:chemische_stof;
skos:notation "CFK115";
skos:prefLabel "monochloorpentafluorethaan"@nl .
csc:GZCRRIHWUXGPOV-OUBTZVSYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:161008;
dbo:casNumber "13981-29-8";
dbo:formula "Tb";
dbo:inchi "InChI=1S/Tb/i1+1";
dbo:iupacName "terbium-160"@en;
dbo:pubchem "161008"^^xsd:int;
dbo:smiles "[Tb]";
dbp:inchikey "GZCRRIHWUXGPOV-OUBTZVSYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tb160";
skos:prefLabel "terbium 160"@nl .
csc:LTUNNEGNEKBSEH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:91751;
dbo:casNumber "94125-34-5";
dbo:formula "C15H16F3N5O4S";
dbo:inchi "InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)";
dbo:iupacName "3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea"@en;
dbo:pubchem "91751"^^xsd:int;
dbo:smiles "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F";
dbp:inchikey "LTUNNEGNEKBSEH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "prosfrn";
skos:prefLabel "prosulfuron"@nl .
csc:HNXNKTMIVROLTK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:26690;
dbo:casNumber "14433-76-2";
dbo:formula "C12H25NO";
dbo:inchi "InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3";
dbo:iupacName "N,N-Dimethyldecanamide"@en;
dbo:pubchem "26690"^^xsd:int;
dbo:smiles "CCCCCCCCCC(=O)N(C)C";
dbp:inchikey "HNXNKTMIVROLTK-UHFFFAOYSA-N";
skos:altLabel "N,N-dimethyldecanamide"@nl;
skos:broader csc:CHEMONTID_0001096;
skos:inScheme vlcs:chemische_stof;
skos:notation "NNDC1yC10aAd";
skos:prefLabel "n,n-dimethyldecanamide"@nl .
csc:ZAFYATHCZYHLPB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5732;
dbo:casNumber "82626-48-0";
dbo:formula "C19H21N3O";
dbo:inchi "InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3";
dbo:iupacName "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide"@en;
dbo:pubchem "5732"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C";
dbp:inchikey "ZAFYATHCZYHLPB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002327;
skos:inScheme vlcs:chemische_stof;
skos:notation "zolpdm";
skos:prefLabel "zolpidem"@nl .
csc:FFSSWMQPCJRCRV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91739;
dbo:casNumber "84087-01-4" , "113875-40-4";
dbo:formula "C10H5Cl2NO2";
dbo:inchi "InChI=1S/C10H5Cl2NO2/c11-6-3-5-1-2-7(12)8(10(14)15)9(5)13-4-6/h1-4H,(H,14,15)";
dbo:iupacName "3,7-Dichloroquinoline-8-carboxylic acid"@en;
dbo:pubchem "91739"^^xsd:int;
dbo:smiles "C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl";
dbp:inchikey "FFSSWMQPCJRCRV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002552;
skos:inScheme vlcs:chemische_stof;
skos:notation "quincrc";
skos:prefLabel "quinclorac"@nl .
csc:DOLQYFPDPKPQSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7248;
dbo:casNumber "95-64-7";
dbo:formula "C8H11N";
dbo:inchi "InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3";
dbo:iupacName "3,4-Dimethylaniline"@en;
dbo:pubchem "7248"^^xsd:int;
dbo:smiles "CC1=C(C=C(C=C1)N)C";
dbp:inchikey "DOLQYFPDPKPQSS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004210;
skos:inScheme vlcs:chemische_stof;
skos:notation "34DC1yAn";
skos:prefLabel "3,4-dimethylaniline"@nl .
csc:GEYOCULIXLDCMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7243;
dbo:casNumber "95-54-5";
dbo:formula "C6H8N2";
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2";
dbo:iupacName "benzene-1,2-diamine"@en;
dbo:pubchem "7243"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)N)N";
dbp:inchikey "GEYOCULIXLDCMW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DAoBen";
skos:prefLabel "1,2-diaminobenzeen"@nl .
csc:YPNZJHFXFVLXSE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6898;
dbo:casNumber "87-64-9";
dbo:formula "C7H7ClO";
dbo:inchi "InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3";
dbo:iupacName "2-Chloro-6-methylphenol"@en;
dbo:pubchem "6898"^^xsd:int;
dbo:smiles "CC1=C(C(=CC=C1)Cl)O";
dbp:inchikey "YPNZJHFXFVLXSE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001274;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl6C1yFol";
skos:prefLabel "2-chloor-6-methylfenol"@nl .
csc:QIONYIKHPASLHO-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6414;
dbo:casNumber "75-96-7";
dbo:formula "C2Br3O2-";
dbo:inchi "InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1";
dbo:iupacName "2,2,2-tribromoacetate"@en;
dbo:pubchem "6414"^^xsd:int;
dbo:smiles "C(=O)(C(Br)(Br)Br)[O-]";
dbp:inchikey "QIONYIKHPASLHO-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "TBrHAc";
skos:prefLabel "tribroomazijnzuur"@nl .
csc:YQUQWHNMBPIWGK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7465;
dbo:casNumber "99-89-8";
dbo:formula "C9H12O";
dbo:inchi "InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3";
dbo:iupacName "4-propan-2-ylphenol"@en;
dbo:pubchem "7465"^^xsd:int;
dbo:smiles "CC(C)C1=CC=C(C=C1)O";
dbp:inchikey "YQUQWHNMBPIWGK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000355;
skos:inScheme vlcs:chemische_stof;
skos:notation "4iC3yFol";
skos:prefLabel "4-isopropylfenol"@nl .
csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:8254;
dbo:casNumber "115-10-6" , "157621-61-9";
dbo:formula "C2H6O";
dbo:inchi "InChI=1S/C2H6O/c1-3-2/h1-2H3";
dbo:iupacName "Methoxymethane"@en;
dbo:pubchem "8254"^^xsd:int;
dbo:smiles "COC";
dbp:inchikey "LCGLNKUTAGEVQW-UHFFFAOYSA-N";
skos:altLabel "dimethylether"@nl;
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1yEtr";
skos:prefLabel "dimethylether "@nl .
csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl;
rdfs:seeAlso compound:42138;
dbo:casNumber "57117-41-6";
dbo:formula "C12H3Cl5O";
dbo:inchi "InChI=1S/C12H3Cl5O/c13-5-1-4-8(2-6(5)14)18-9-3-7(15)11(16)12(17)10(4)9/h1-3H";
dbo:iupacName "1,2,3,7,8-PENTACHLORODIBENZOFURAN"@en;
dbo:pubchem "42138"^^xsd:int;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl";
dbp:inchikey "SBMIVUVRFPGOEB-UHFFFAOYSA-N";
skos:altLabel "1,2,3,7,8-pentachloordibenzofuraan"@nl , "1,2,3,7,8-pentachloordibenzofuraan (pecdf)"@nl , " 1,2,3,7,8-pentachloordibenzofuraan"@nl;
skos:broader csc:CHEMONTID_0003029;
skos:exactMatch wise:CAS_57117-41-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF94";
skos:prefLabel "1,2,3,7,8-pentachloordibenzofuran"@nl .
csc:LNJNFVJKDJYTEU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91742;
dbo:casNumber "87130-20-9";
dbo:formula "C14H21NO4";
dbo:inchi "InChI=1S/C14H21NO4/c1-5-17-12-8-7-11(9-13(12)18-6-2)15-14(16)19-10(3)4/h7-10H,5-6H2,1-4H3,(H,15,16)";
dbo:iupacName "propan-2-yl N-(3,4-diethoxyphenyl)carbamate"@en;
dbo:pubchem "91742"^^xsd:int;
dbo:smiles "CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC";
dbp:inchikey "LNJNFVJKDJYTEU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004714;
skos:inScheme vlcs:chemische_stof;
skos:notation "Detfcb";
skos:prefLabel "diethofencarb"@nl .
csc:UMKANAFDOQQUKE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:20848;
dbo:casNumber "4726-14-1";
dbo:formula "C13H19N3O6S";
dbo:inchi "InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3";
dbo:iupacName "4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline"@en;
dbo:pubchem "20848"^^xsd:int;
dbo:smiles "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]";
dbp:inchikey "UMKANAFDOQQUKE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003968;
skos:inScheme vlcs:chemische_stof;
skos:notation "nitln";
skos:prefLabel "nitralin"@nl .
csc:LCFVJGUPQDGYKZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2286;
dbo:casNumber "85101-00-4" , "1675-54-3" , "47424-12-4" , "500008-19-5" , "170962-54-6" , "116161-20-7";
dbo:formula "C21H24O4";
dbo:inchi "InChI=1S/C21H24O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h3-10,19-20H,11-14H2,1-2H3";
dbo:iupacName "2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane"@en;
dbo:pubchem "2286"^^xsd:int;
dbo:smiles "CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4";
dbp:inchikey "LCFVJGUPQDGYKZ-UHFFFAOYSA-N";
skos:altLabel "bisfenol a diglycidylether"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "bisFolADgcdE";
skos:prefLabel "bisfenol A diglycidylether"@nl .
csc:QMMFBGBMARGVFC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:101258;
dbo:casNumber "37557-96-3";
dbo:formula "C2H4Cl2O2S";
dbo:inchi "InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3";
dbo:iupacName "dichloromethylsulfonylmethane"@en;
dbo:pubchem "101258"^^xsd:int;
dbo:smiles "CS(=O)(=O)C(Cl)Cl";
dbp:inchikey "QMMFBGBMARGVFC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000505;
skos:inScheme vlcs:chemische_stof;
skos:notation "DClC1ysfnC1a";
skos:prefLabel "dichloor(methylsulfonyl)methaan"@nl .
csc:QIMMUPPBPVKWKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7055;
dbo:casNumber "91-57-6" , "7419-61-6";
dbo:formula "C11H10";
dbo:inchi "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3";
dbo:iupacName "2-Methylnaphthalene"@en;
dbo:pubchem "7055"^^xsd:int;
dbo:smiles "CC1=CC2=CC=CC=C2C=C1";
dbp:inchikey "QIMMUPPBPVKWKM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yNaf";
skos:prefLabel "2-methylnaftaleen"@nl .
csc:MKARNSWMMBGSHX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7949;
dbo:casNumber "108-69-0";
dbo:formula "C8H11N";
dbo:inchi "InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3";
dbo:iupacName "3,5-Dimethylaniline"@en;
dbo:pubchem "7949"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1)N)C";
dbp:inchikey "MKARNSWMMBGSHX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004209;
skos:inScheme vlcs:chemische_stof;
skos:notation "35DC1yAn";
skos:prefLabel "3,5-dimethylaniline"@nl .
csc:FGLBSLMDCBOPQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:398;
dbo:casNumber "79-46-9" , "104306-46-9";
dbo:formula "C3H7NO2";
dbo:inchi "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3";
dbo:iupacName "['2-nitropropane', 'N-oxido-N-propan-2-ylhydroxylamine', 'N,N-dihydroxypropan-2-amine']"@en;
dbo:pubchem "398"^^xsd:int;
dbo:smiles "CC(C)[N+](=O)[O-]";
dbp:inchikey "FGLBSLMDCBOPQK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004117;
skos:inScheme vlcs:chemische_stof;
skos:notation "2NO2C3a";
skos:prefLabel "2-nitropropaan"@nl .
csc:CYEJMVLDXAUOPN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:171144;
dbo:casNumber "27193-86-8";
dbo:formula "C18H30O";
dbo:inchi "InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19/h12-13,15-16,19H,2-11,14H2,1H3";
dbo:iupacName "2-Dodecylphenol"@en;
dbo:pubchem "171144"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCC1=CC=CC=C1O";
dbp:inchikey "CYEJMVLDXAUOPN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004647;
skos:inScheme vlcs:chemische_stof;
skos:notation "sC12yFol";
skos:prefLabel "som dodecylfenol-isomeren"@nl .
csc:PNPCRKVUWYDDST-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7932;
dbo:casNumber "108-42-9";
dbo:formula "C6H6ClN";
dbo:inchi "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2";
dbo:iupacName "3-Chloroaniline"@en;
dbo:pubchem "7932"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)Cl)N";
dbp:inchikey "PNPCRKVUWYDDST-UHFFFAOYSA-N";
skos:altLabel "m-chlooraniline"@nl;
skos:broader csc:CHEMONTID_0000284;
skos:exactMatch wise:CAS_108-42-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "3ClAn";
skos:prefLabel "3-chlooraniline"@nl .
csc:BUGBHKTXTAQXES-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3, diverse art) 'Se'"@nl , "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'"@nl , "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'"@nl;
rdfs:seeAlso compound:6326970;
dbo:casNumber "11133-88-3" , "95788-45-7" , "12640-30-1" , "50954-17-1" , "7783-07-5" , "51882-60-1" , "7782-49-2" , "37258-85-8" , "12641-96-2" , "37256-19-2" , "37276-15-6" , "37368-02-8" , "12733-65-2" , "11125-23-8" , "12640-29-8";
dbo:formula "Se";
dbo:inchi "InChI=1S/Se";
dbo:iupacName "Selenium"@en;
dbo:pubchem "6326970"^^xsd:int;
dbo:smiles "[Se]";
dbp:inchikey "BUGBHKTXTAQXES-UHFFFAOYSA-N";
skos:altLabel "Seleen (Se)"@nl;
skos:broader csc:CHEMONTID_0000434;
skos:definition "seleen en seleenverbindingen, uitgedrukt als lood (Pb)"@nl;
skos:exactMatch wise:CAS_7782-49-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "Se";
skos:prefLabel "seleen"@nl .
csc:CGYGETOMCSJHJU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7056;
dbo:casNumber "91-58-7";
dbo:formula "C10H7Cl";
dbo:inchi "InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H";
dbo:iupacName "2-CHLORONAPHTHALENE"@en;
dbo:pubchem "7056"^^xsd:int;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)Cl";
dbp:inchikey "CGYGETOMCSJHJU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004794;
skos:inScheme vlcs:chemische_stof;
skos:notation "2ClNaf";
skos:prefLabel "2-chloornaftaleen"@nl .
csc:WYURNTSHIVDZCO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:8028;
dbo:casNumber "109-99-9" , "24979-97-3" , "77392-70-2";
dbo:formula "C4H8O";
dbo:inchi "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2";
dbo:iupacName "Oxolane"@en;
dbo:pubchem "8028"^^xsd:int;
dbo:smiles "C1CCOC1";
dbp:inchikey "WYURNTSHIVDZCO-UHFFFAOYSA-N";
skos:altLabel "tetrahydrofuraan"@nl;
skos:broader csc:CHEMONTID_0002648;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4Hfrn" , "PTMEG";
skos:prefLabel "polytetramethyletherglycol"@nl .
csc:QUSNBJAOOMFDIB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6341;
dbo:casNumber "85404-16-6" , "75-04-7" , "85404-22-4" , "43031-21-6";
dbo:formula "C2H7N";
dbo:inchi "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3";
dbo:iupacName "Ethanamine"@en;
dbo:pubchem "6341"^^xsd:int;
dbo:smiles "CCN";
dbp:inchikey "QUSNBJAOOMFDIB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yAe";
skos:prefLabel "ethylamine"@nl .
csc:AMQJEAYHLZJPGS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6276;
dbo:casNumber "71-41-0";
dbo:formula "C5H12O";
dbo:inchi "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3";
dbo:iupacName "Pentan-1-ol"@en;
dbo:pubchem "6276"^^xsd:int;
dbo:smiles "CCCCCO";
dbp:inchikey "AMQJEAYHLZJPGS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000286;
skos:inScheme vlcs:chemische_stof;
skos:notation "C5ol";
skos:prefLabel "pentanol"@nl .
csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR II bijl. 2.5.3 'NO'"@nl;
rdfs:seeAlso compound:945;
dbo:casNumber "90452-29-2" , "10102-43-9" , "53851-19-7" , "51005-21-1" , "51005-20-0" , "90880-94-7" , "14332-28-6";
dbo:formula "HNO";
dbo:inchi "InChI=1S/HNO/c1-2/h1H";
dbo:iupacName "nitroxyl"@en;
dbo:pubchem "945"^^xsd:int;
dbo:smiles "N=O";
dbp:inchikey "ODUCDPQEXGNKDN-UHFFFAOYSA-N";
skos:altLabel "stikstofmonoxide (NO)"@nl;
skos:broader csc:CHEMONTID_0000554;
skos:inScheme vlcs:chemische_stof;
skos:notation "NO";
skos:prefLabel "stikstofmonoxide"@nl .
csc:LCHYEKKJCUJAKN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12570;
dbo:casNumber "644-35-9";
dbo:formula "C9H12O";
dbo:inchi "InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3";
dbo:iupacName "2-Propylphenol"@en;
dbo:pubchem "12570"^^xsd:int;
dbo:smiles "CCCC1=CC=CC=C1O";
dbp:inchikey "LCHYEKKJCUJAKN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C3yFol";
skos:prefLabel "2-propylfenol"@nl .
csc:JUVIOZPCNVVQFO-HBGVWJBISA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6758;
dbo:casNumber "83-79-4" , "12679-58-2";
dbo:formula "C23H22O6";
dbo:inchi "InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,16,20-21H,1,8,10H2,2-4H3/t16-,20-,21+/m1/s1";
dbo:iupacName "(1S,6R,13S)-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one"@en;
dbo:pubchem "6758"^^xsd:int;
dbo:smiles "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC";
dbp:inchikey "JUVIOZPCNVVQFO-HBGVWJBISA-N";
skos:broader csc:CHEMONTID_0003528;
skos:inScheme vlcs:chemische_stof;
skos:notation "rotnn";
skos:prefLabel "rotenon"@nl .
csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2347;
dbo:casNumber "85-68-7" , "58128-78-2";
dbo:formula "C19H20O4";
dbo:inchi "InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3";
dbo:iupacName "O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "2347"^^xsd:int;
dbo:smiles "CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2";
dbp:inchikey "IRIAEXORFWYRCZ-UHFFFAOYSA-N";
skos:altLabel "butylbenzylftalaat"@nl;
skos:broader csc:CHEMONTID_0001350;
skos:exactMatch wise:CAS_85-68-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzC4yFt";
skos:prefLabel "benzylbutylftalaat"@nl .
csc:DECIPOUIJURFOJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3293;
dbo:casNumber "8047-14-1" , "8047-04-9" , "91-53-2" , "63301-91-7";
dbo:formula "C14H19NO";
dbo:inchi "InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3";
dbo:iupacName "6-ethoxy-2,2,4-trimethyl-1H-quinoline"@en;
dbo:pubchem "3293"^^xsd:int;
dbo:smiles "CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C";
dbp:inchikey "DECIPOUIJURFOJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001716;
skos:inScheme vlcs:chemische_stof;
skos:notation "etxcne";
skos:prefLabel "ethoxychine"@nl .
csc:KWWWFTBWCKTBQI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:41122;
dbo:casNumber "54549-72-3";
dbo:formula "C11H14O2";
dbo:inchi "InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3";
dbo:iupacName "1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone"@en;
dbo:pubchem "41122"^^xsd:int;
dbo:smiles "CC(=O)C1=CC=C(C=C1)C(C)(C)O";
dbp:inchikey "KWWWFTBWCKTBQI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004298;
skos:inScheme vlcs:chemische_stof;
skos:notation "41HOx1C1yC2y";
skos:prefLabel "4-(1-hydroxy-1-methylethyl)-acetofenon"@nl .
csc:CAHQGWAXKLQREW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7411;
dbo:casNumber "37808-21-2" , "29797-40-8" , "98-87-3";
dbo:formula "C7H6Cl2";
dbo:inchi "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H";
dbo:iupacName "Dichloromethylbenzene"@en;
dbo:pubchem "7411"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(Cl)Cl";
dbp:inchikey "CAHQGWAXKLQREW-UHFFFAOYSA-N";
skos:altLabel "alfa-alfa-dichloortolueen"@nl , "alfa-alfa-dichloortolueen (benzalchloride)"@nl;
skos:broader csc:CHEMONTID_0002279;
skos:exactMatch wise:CAS_98-87-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "aaDClTol";
skos:prefLabel "alfa,alfa-dichloortolueen"@nl .
csc:DMSMPAJRVJJAGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17520;
dbo:casNumber "2634-33-5" , "101964-01-6" , "40991-37-5" , "75037-67-1" , "54392-14-2";
dbo:formula "C7H5NOS";
dbo:inchi "InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)";
dbo:iupacName "1,2-benzothiazol-3-one"@en;
dbo:pubchem "17520"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C(=O)NS2";
dbp:inchikey "DMSMPAJRVJJAGA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "12benztaz3o";
skos:prefLabel "1,2-benzothiazool-3-on"@nl .
csc:KLMCZVJOEAUDNE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6328145;
dbo:casNumber "7440-73-5";
dbo:formula "Fr";
dbo:inchi "InChI=1S/Fr";
dbo:iupacName "FRANCIUM"@en;
dbo:pubchem "6328145"^^xsd:int;
dbo:smiles "[Fr]";
dbp:inchikey "KLMCZVJOEAUDNE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fr";
skos:prefLabel "francium"@nl .
csc:CWBIFDGMOSWLRQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:25477;
dbo:casNumber "12001-29-5" , "61076-97-9";
dbo:formula "H4Mg3O9Si2";
dbo:inchi "InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;";
dbo:iupacName "trimagnesium hydroxy-trioxidosilane hydrate"@en;
dbo:pubchem "25477"^^xsd:int;
dbo:smiles "O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]";
dbp:inchikey "CWBIFDGMOSWLRQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000921;
skos:inScheme vlcs:chemische_stof;
skos:notation "chrystl";
skos:prefLabel "chrysotiel (witte asbest)"@nl .
csc:FYWJWWMKCARWQG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:33050;
dbo:casNumber "25550-53-2" , "41195-90-8";
dbo:formula "C7H3Cl2NO";
dbo:inchi "InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H";
dbo:iupacName "1,2-Dichloro-3-isocyanatobenzene"@en;
dbo:pubchem "33050"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)N=C=O";
dbp:inchikey "FYWJWWMKCARWQG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "23DClFyiCN";
skos:prefLabel "2,3-dichloorfenylisocyanaat"@nl .
csc:QGSRKGWCQSATCL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:14503;
dbo:casNumber "1192-52-5";
dbo:formula "C3Cl2OS2";
dbo:inchi "InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6";
dbo:iupacName "4,5-dichlorodithiol-3-one"@en;
dbo:pubchem "14503"^^xsd:int;
dbo:smiles "C1(=C(SSC1=O)Cl)Cl";
dbp:inchikey "QGSRKGWCQSATCL-UHFFFAOYSA-N";
skos:altLabel "4,5-dichloor-3h-1,2-dithiool-3-on"@nl;
skos:broader csc:CHEMONTID_0001030;
skos:inScheme vlcs:chemische_stof;
skos:notation "45DCl3H12Dto";
skos:prefLabel "4,5-dichloor-3H-1,2-dithiool-3-on"@nl .
csc:VVJKKWFAADXIJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7853;
dbo:casNumber "30551-89-4" , "107-11-9" , "71550-12-4";
dbo:formula "C3H7N";
dbo:inchi "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2";
dbo:iupacName "prop-2-en-1-amine"@en;
dbo:pubchem "7853"^^xsd:int;
dbo:smiles "C=CCN";
dbp:inchikey "VVJKKWFAADXIJK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "3Ao1C3e";
skos:prefLabel "3-amino-1-propeen"@nl .
csc:RBTARNINKXHZNM-UHFFFAOYSA-K
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:24380;
dbo:casNumber "12040-57-2" , "7705-08-0" , "130622-20-7" , "12178-83-5";
dbo:formula "Cl3Fe";
dbo:inchi "InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3";
dbo:iupacName "['trichloroiron', 'iron(+3) cation trichloride']"@en;
dbo:pubchem "24380"^^xsd:int;
dbo:smiles "Cl[Fe](Cl)Cl";
dbp:inchikey "RBTARNINKXHZNM-UHFFFAOYSA-K";
skos:altLabel "ijzer(iii)chloride"@nl;
skos:broader csc:CHEMONTID_0000588;
skos:inScheme vlcs:chemische_stof;
skos:notation "FeCl3";
skos:prefLabel "ijzer(III)chloride"@nl .
csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5329;
dbo:casNumber "129378-89-8" , "723-46-6";
dbo:formula "C10H11N3O3S";
dbo:inchi "InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)";
dbo:iupacName "4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide"@en;
dbo:pubchem "5329"^^xsd:int;
dbo:smiles "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N";
dbp:inchikey "JLKIGFTWXXRPMT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001925;
skos:exactMatch wise:CAS_723-46-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulfmtoazl";
skos:prefLabel "sulfamethoxazol"@nl .
csc:YXOVIGZJPGLNGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:17768;
dbo:casNumber "2809-64-5";
dbo:formula "C11H14";
dbo:inchi "InChI=1S/C11H14/c1-9-5-4-7-10-6-2-3-8-11(9)10/h4-5,7H,2-3,6,8H2,1H3";
dbo:iupacName "5-methyl-1,2,3,4-tetrahydronaphthalene"@en;
dbo:pubchem "17768"^^xsd:int;
dbo:smiles "CC1=C2CCCCC2=CC=C1";
dbp:inchikey "YXOVIGZJPGLNGM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000048;
skos:inScheme vlcs:chemische_stof;
skos:notation "5C1yT4lne";
skos:prefLabel "5-methyltetralin"@nl .
csc:YSAXEHWHSLANOM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:16587;
dbo:casNumber "2177-47-1";
dbo:formula "C10H10";
dbo:inchi "InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3";
dbo:iupacName "2-METHYL-1H-INDENE"@en;
dbo:pubchem "16587"^^xsd:int;
dbo:smiles "CC1=CC2=CC=CC=C2C1";
dbp:inchikey "YSAXEHWHSLANOM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000021;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1idn";
skos:prefLabel "2-methylindeen"@nl .
csc:JCMNMOBHVPONLD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:74883;
dbo:casNumber "2043-47-2";
dbo:formula "C6H5F9O";
dbo:inchi "InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2";
dbo:iupacName "3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol"@en;
dbo:pubchem "74883"^^xsd:int;
dbo:smiles "C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "JCMNMOBHVPONLD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003967;
skos:inScheme vlcs:chemische_stof;
skos:notation "42FTOH";
skos:prefLabel "perfluorethylethanol 4:2"@nl .
csc:ASWVTGNCAZCNNR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5327;
dbo:casNumber "57-68-1";
dbo:formula "C12H14N4O2S";
dbo:inchi "InChI=1S/C12H14N4O2S/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)";
dbo:iupacName "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide"@en;
dbo:pubchem "5327"^^xsd:int;
dbo:smiles "CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C";
dbp:inchikey "ASWVTGNCAZCNNR-UHFFFAOYSA-N";
skos:altLabel "sulfamethazine"@nl;
skos:broader csc:CHEMONTID_0001925;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulfdmdne";
skos:prefLabel "sulfadimidine"@nl .
csc:CBENFWSGALASAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:24823;
dbo:casNumber "10028-15-6" , "74087-86-8";
dbo:formula "O3";
dbo:inchi "InChI=1S/O3/c1-3-2";
dbo:iupacName "OZONE"@en;
dbo:pubchem "24823"^^xsd:int;
dbo:smiles "[O-][O+]=O";
dbp:inchikey "CBENFWSGALASAD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000554;
skos:inScheme vlcs:chemische_stof;
skos:notation "ozn";
skos:prefLabel "ozon"@nl .
csc:AFYPFACVUDMOHA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6392;
dbo:casNumber "185009-43-2" , "75-72-9";
dbo:formula "CClF3";
dbo:inchi "InChI=1S/CClF3/c2-1(3,4)5";
dbo:iupacName "chloro-trifluoromethane"@en;
dbo:pubchem "6392"^^xsd:int;
dbo:smiles "C(F)(F)(F)Cl";
dbp:inchikey "AFYPFACVUDMOHA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004521;
skos:inScheme vlcs:chemische_stof;
skos:notation "CFK13";
skos:prefLabel "chloortrifluormethaan"@nl .
csc:SXPWTBGAZSPLHA-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:31202;
dbo:casNumber "60484-28-8" , "89004-36-4" , "10328-34-4" , "122-18-9";
dbo:formula "C25H46ClN";
dbo:inchi "InChI=1S/C25H46N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1";
dbo:iupacName "benzyl-hexadecyl-dimethylazanium chloride"@en;
dbo:pubchem "31202"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]";
dbp:inchikey "SXPWTBGAZSPLHA-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0003977;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzDC1yC16y";
skos:prefLabel "benzyldimethylhexadecylammoniumchloride"@nl .
csc:USSIQXCVUWKGNF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4095;
dbo:casNumber "5653-80-5" , "125-58-6" , "76-99-3" , "297-88-1";
dbo:formula "C21H27NO";
dbo:inchi "InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3";
dbo:iupacName "6-dimethylamino-4,4-di(phenyl)heptan-3-one"@en;
dbo:pubchem "4095"^^xsd:int;
dbo:smiles "CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2";
dbp:inchikey "USSIQXCVUWKGNF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "metdn";
skos:prefLabel "methadon"@nl .
csc:BHNHHSOHWZKFOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7224;
dbo:casNumber "95-20-5";
dbo:formula "C9H9N";
dbo:inchi "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3";
dbo:iupacName "2-Methyl-1H-indole"@en;
dbo:pubchem "7224"^^xsd:int;
dbo:smiles "CC1=CC2=CC=CC=C2N1";
dbp:inchikey "BHNHHSOHWZKFOX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002497;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yidl";
skos:prefLabel "2-methylindol"@nl .
csc:SUDHEDJJFGYYPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:12709;
dbo:casNumber "687-48-9";
dbo:formula "C5H11NO2";
dbo:inchi "InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3";
dbo:iupacName "Ethyl N,N-dimethylcarbamate"@en;
dbo:pubchem "12709"^^xsd:int;
dbo:smiles "CCOC(=O)N(C)C";
dbp:inchikey "SUDHEDJJFGYYPL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001162;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yDC1ycbmt";
skos:prefLabel "ethyl dimethylcarbamaat"@nl .
csc:ZRIKZVLHMGYCIR-NSHDSACASA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:159151;
dbo:casNumber "87764-37-2";
dbo:formula "C14H19NO4";
dbo:inchi "InChI=1S/C14H19NO4/c1-9-6-5-7-10(2)13(9)15(11(3)14(17)18)12(16)8-19-4/h5-7,11H,8H2,1-4H3,(H,17,18)/t11-/m0/s1";
dbo:iupacName "(2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid"@en;
dbo:pubchem "159151"^^xsd:int;
dbo:smiles "CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC";
dbp:inchikey "ZRIKZVLHMGYCIR-NSHDSACASA-N";
skos:altLabel "metalaxyl metaboliet CGA 62826"@nl;
skos:broader csc:CHEMONTID_0004148;
skos:inScheme vlcs:chemische_stof;
skos:notation "mlxlMC62826";
skos:prefLabel "metalaxyl metaboliet cga 62826"@nl .
csc:PNDPGZBMCMUPRI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:807;
dbo:casNumber "8012-85-9" , "8031-47-8" , "7553-56-2" , "8012-81-5" , "24503-90-0";
dbo:formula "I2";
dbo:inchi "InChI=1S/I2/c1-2";
dbo:iupacName "Molecular iodine"@en;
dbo:pubchem "807"^^xsd:int;
dbo:smiles "II";
dbp:inchikey "PNDPGZBMCMUPRI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000432;
skos:inScheme vlcs:chemische_stof;
skos:notation "I2";
skos:prefLabel "dijodium"@nl .
csc:MHZGKXUYDGKKIU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8916;
dbo:casNumber "2016-57-1";
dbo:formula "C10H23N";
dbo:inchi "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3";
dbo:iupacName "decan-1-amine"@en;
dbo:pubchem "8916"^^xsd:int;
dbo:smiles "CCCCCCCCCCN";
dbp:inchikey "MHZGKXUYDGKKIU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "1AoC10a";
skos:prefLabel "1-aminodecaan"@nl .
csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:7239;
dbo:casNumber "24634-92-2" , "25321-22-6" , "95-50-1";
dbo:formula "C6H4Cl2";
dbo:inchi "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H";
dbo:iupacName "1,2-Dichlorobenzene"@en;
dbo:pubchem "7239"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)Cl)Cl";
dbp:inchikey "RFFLAFLAYFXFSW-UHFFFAOYSA-N";
skos:altLabel "1,2-dichloorbenzeen "@nl;
skos:broader csc:CHEMONTID_0002564;
skos:exactMatch wise:CAS_95-50-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DClBen";
skos:prefLabel "1,2-dichloorbenzeen"@nl .
csc:QNXSIUBBGPHDDE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6735;
dbo:casNumber "83-33-0" , "30286-23-8";
dbo:formula "C9H8O";
dbo:inchi "InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2";
dbo:iupacName "2,3-dihydroinden-1-one"@en;
dbo:pubchem "6735"^^xsd:int;
dbo:smiles "C1CC(=O)C2=CC=CC=C21";
dbp:inchikey "QNXSIUBBGPHDDE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001151;
skos:inScheme vlcs:chemische_stof;
skos:notation "1indnn";
skos:prefLabel "1-indanon"@nl .
csc:MHKLKWCYGIBEQF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7619;
dbo:casNumber "35309-99-0" , "102-77-2" , "108251-60-1" , "31440-29-6" , "40860-79-5";
dbo:formula "C11H12N2OS2";
dbo:inchi "InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2";
dbo:iupacName "2-morpholin-4-ylsulfanyl-1,3-benzothiazole"@en;
dbo:pubchem "7619"^^xsd:int;
dbo:smiles "C1COCCN1SC2=NC3=CC=CC=C3S2";
dbp:inchikey "MHKLKWCYGIBEQF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "2mflntobztaz";
skos:prefLabel "2-morfoline(thio)benzothiazool"@nl .
csc:BKIXWRBZCQEZAQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:56262;
dbo:casNumber "91538-84-0";
dbo:formula "C12H2Cl6O";
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-4(14)6-5(2-3)19-12-7(6)8(15)9(16)10(17)11(12)18/h1-2H";
dbo:iupacName "1,2,3,4,7,9-HEXACHLORODIBENZOFURAN"@en;
dbo:pubchem "56262"^^xsd:int;
dbo:smiles "C1=C(C=C(C2=C1OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BKIXWRBZCQEZAQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003029;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF119";
skos:prefLabel "1,2,3,4,7,9-hexachloordibenzofuraan"@nl .
csc:HNZUNIKWNYHEJJ-FMIVXFBMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1549778;
dbo:casNumber "68228-05-7" , "3796-70-1" , "689-67-8";
dbo:formula "C13H22O";
dbo:inchi "InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+";
dbo:iupacName "['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one']"@en;
dbo:pubchem "1549778"^^xsd:int;
dbo:smiles "CC(=CCCC(=CCCC(=O)C)C)C";
dbp:inchikey "HNZUNIKWNYHEJJ-FMIVXFBMSA-N";
skos:broader csc:CHEMONTID_0001127;
skos:inScheme vlcs:chemische_stof;
skos:notation "tganactn";
skos:prefLabel "trans-geranylaceton"@nl .
csc:XRHGWAGWAHHFLF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:39223;
dbo:casNumber "57425-06-6" , "42509-80-8" , "65357-77-9";
dbo:formula "C9H17ClN3O3PS";
dbo:inchi "InChI=1S/C9H17ClN3O3PS/c1-5-14-17(18,15-6-2)16-9-11-8(10)13(12-9)7(3)4/h7H,5-6H2,1-4H3";
dbo:iupacName "(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "39223"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C";
dbp:inchikey "XRHGWAGWAHHFLF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004623;
skos:inScheme vlcs:chemische_stof;
skos:notation "iszfs";
skos:prefLabel "isazofos"@nl .
csc:MSXVEPNJUHWQHW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6405;
dbo:casNumber "75-85-4";
dbo:formula "C5H12O";
dbo:inchi "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3";
dbo:iupacName "2-Methylbutan-2-ol"@en;
dbo:pubchem "6405"^^xsd:int;
dbo:smiles "CCC(C)(C)O";
dbp:inchikey "MSXVEPNJUHWQHW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001670;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y2C4ol";
skos:prefLabel "2-methyl-2-butanol"@nl .
csc:GIBQERSGRNPMEH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6949;
dbo:casNumber "34766-41-1" , "88-84-6";
dbo:formula "C15H24";
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3";
dbo:iupacName "1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene"@en;
dbo:pubchem "6949"^^xsd:int;
dbo:smiles "CC1CCC(=C(C)C)CC2=C1CCC2C";
dbp:inchikey "GIBQERSGRNPMEH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001550;
skos:inScheme vlcs:chemische_stof;
skos:notation "guaiene";
skos:prefLabel "guaiene"@nl .
csc:HYVWIQDYBVKITD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12898;
dbo:casNumber "731-27-1";
dbo:formula "C10H13Cl2FN2O2S2";
dbo:inchi "InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3";
dbo:iupacName "N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline"@en;
dbo:pubchem "12898"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C";
dbp:inchikey "HYVWIQDYBVKITD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000038;
skos:inScheme vlcs:chemische_stof;
skos:notation "tolfande";
skos:prefLabel "tolylfluanide"@nl .
csc:HOQADATXFBOEGG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:32872;
dbo:casNumber "52907-24-1" , "103982-06-5" , "61711-63-5" , "103982-07-6" , "25311-71-1";
dbo:formula "C15H24NO4PS";
dbo:inchi "InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)";
dbo:iupacName "propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate"@en;
dbo:pubchem "32872"^^xsd:int;
dbo:smiles "CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C";
dbp:inchikey "HOQADATXFBOEGG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "iffs";
skos:prefLabel "isofenfos"@nl .
csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR III (D3, diverse art) 'Sn'"@nl , "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'"@nl , "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'"@nl , "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'"@nl;
rdfs:seeAlso compound:5352426;
dbo:casNumber "7440-31-5";
dbo:formula "Sn";
dbo:inchi "InChI=1S/Sn";
dbo:iupacName "TIN"@en;
dbo:pubchem "5352426"^^xsd:int;
dbo:smiles "[Sn]";
dbp:inchikey "ATJFFYVFTNAWJD-UHFFFAOYSA-N";
skos:altLabel "Tin (Sn)"@nl;
skos:broader csc:CHEMONTID_0000427;
skos:definition "tin en tinverbindingen, uitgedrukt als tin (Sn)"@nl;
skos:exactMatch wise:CAS_7440-31-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "Sn";
skos:prefLabel "tin"@nl .
csc:SXRSQZLOMIGNAQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3485;
dbo:casNumber "29257-65-6" , "79215-57-9" , "111-30-8" , "107950-89-0" , "37245-61-7";
dbo:formula "C5H8O2";
dbo:inchi "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2";
dbo:iupacName "Pentanedial"@en;
dbo:pubchem "3485"^^xsd:int;
dbo:smiles "C(CC=O)CC=O";
dbp:inchikey "SXRSQZLOMIGNAQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002434;
skos:inScheme vlcs:chemische_stof;
skos:notation "glutAh";
skos:prefLabel "glutaaraldehyde"@nl .
csc:OFCFYWOKHPOXKF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6621;
dbo:casNumber "8012-45-1" , "80-00-2";
dbo:formula "C12H9ClO2S";
dbo:inchi "InChI=1S/C12H9ClO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h1-9H";
dbo:iupacName "1-chloro-4-phenylsulfonylbenzene"@en;
dbo:pubchem "6621"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl";
dbp:inchikey "OFCFYWOKHPOXKF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004233;
skos:inScheme vlcs:chemische_stof;
skos:notation "4ClFyFysfn";
skos:prefLabel "4-chloorfenyl fenylsulfon"@nl .
csc:HCHKCACWOHOZIP-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91574;
dbo:casNumber "13982-39-3";
dbo:formula "Zn";
dbo:inchi "InChI=1S/Zn/i1+0";
dbo:iupacName "zinc-65"@en;
dbo:pubchem "91574"^^xsd:int;
dbo:smiles "[Zn]";
dbp:inchikey "HCHKCACWOHOZIP-IGMARMGPSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Zn65";
skos:prefLabel "zink 65"@nl .
csc:CKPWHXBGVRURFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:97768;
dbo:casNumber "3369-52-6";
dbo:formula "C9H6Cl6O";
dbo:inchi "InChI=1S/C9H6Cl6O/c10-5-6(11)8(13)4-2-16-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2";
dbo:iupacName "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene"@en;
dbo:pubchem "97768"^^xsd:int;
dbo:smiles "C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "CKPWHXBGVRURFU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002648;
skos:inScheme vlcs:chemische_stof;
skos:notation "endsfetr";
skos:prefLabel "endosulfanether"@nl .
csc:XAUGWFWQVYXATQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:74296;
dbo:casNumber "1678-25-7";
dbo:formula "C12H11NO2S";
dbo:inchi "InChI=1S/C12H11NO2S/c14-16(15,12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10,13H";
dbo:iupacName "N-Phenylbenzenesulfonamide"@en;
dbo:pubchem "74296"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2";
dbp:inchikey "XAUGWFWQVYXATQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000038;
skos:inScheme vlcs:chemische_stof;
skos:notation "Bensfanlde";
skos:prefLabel "benzeensulfonanilide"@nl .
csc:XGQJZNCFDLXSIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:17697;
dbo:casNumber "2765-11-9";
dbo:formula "C15H30O";
dbo:inchi "InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3";
dbo:iupacName "Pentadecanal"@en;
dbo:pubchem "17697"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCC=O";
dbp:inchikey "XGQJZNCFDLXSIJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000298;
skos:inScheme vlcs:chemische_stof;
skos:notation "C15al";
skos:prefLabel "pentadecanal"@nl .
csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:137941;
dbo:casNumber "3453-99-4";
dbo:formula "C6H14O2";
dbo:inchi "InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3";
dbo:iupacName "2,2-Dimethoxybutane"@en;
dbo:pubchem "137941"^^xsd:int;
dbo:smiles "CCC(C)(OC)OC";
dbp:inchikey "OXQHJIGWZNIQDS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004472;
skos:inScheme vlcs:chemische_stof;
skos:notation "22DC1oxC4a";
skos:prefLabel "2,2-dimethoxybutaan"@nl .
csc:HGUFODBRKLSHSI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl;
rdfs:seeAlso compound:15625;
dbo:casNumber "1746-01-6" , "56795-67-6";
dbo:formula "C12H4Cl4O2";
dbo:inchi "InChI=1S/C12H4Cl4O2/c13-5-1-9-10(2-6(5)14)18-12-4-8(16)7(15)3-11(12)17-9/h1-4H";
dbo:iupacName "2,3,7,8-tetrachlorooxanthrene"@en;
dbo:pubchem "15625"^^xsd:int;
dbo:smiles "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl";
dbp:inchikey "HGUFODBRKLSHSI-UHFFFAOYSA-N";
skos:altLabel "2,3,7,8-tetrachloordibenzodioxine (tcdd)"@nl , " 2,3,7,8-tetrachloordibenzodioxine"@nl , "2,3,7,8-tetrachloordibenzodioxine"@nl;
skos:broader csc:CHEMONTID_0000420;
skos:exactMatch wise:CAS_1746-01-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDD48";
skos:prefLabel "2,3,7,8-tetrachloordibenzo-p-dioxine"@nl .
csc:QFMJFXFXQAFGBO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:66793;
dbo:casNumber "96-96-8";
dbo:formula "C7H8N2O3";
dbo:inchi "InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3";
dbo:iupacName "4-Methoxy-2-nitroaniline"@en;
dbo:pubchem "66793"^^xsd:int;
dbo:smiles "COC1=CC(=C(C=C1)N)[N+](=O)[O-]";
dbp:inchikey "QFMJFXFXQAFGBO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004671;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1ox2NO2An";
skos:prefLabel "4-methoxy-2-nitroaniline"@nl .
csc:UVCOILFBWYKHHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:4540;
dbo:casNumber "2886-65-9";
dbo:formula "C15H10ClFN2O";
dbo:inchi "InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)";
dbo:iupacName "7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "4540"^^xsd:int;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F";
dbp:inchikey "UVCOILFBWYKHHB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004097;
skos:inScheme vlcs:chemische_stof;
skos:notation "norfDazpm";
skos:prefLabel "norfludiazepam"@nl .
csc:LGBAGUMSAPUZPU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:175686;
dbo:casNumber "96507-86-7";
dbo:formula "C30H50O4";
dbo:inchi "InChI=1S/C30H50O4/c1-25(2)19-13-9-5-7-11-17-23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-18-12-8-6-10-14-20-26(3)4/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3";
dbo:iupacName "bis(9-methyldecyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "175686"^^xsd:int;
dbo:smiles "CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C";
dbp:inchikey "LGBAGUMSAPUZPU-UHFFFAOYSA-N";
skos:altLabel "di-isoundecylftalaat (mix van isomeren)"@nl;
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "DiC11yFt";
skos:prefLabel "diisoundecylftalaat"@nl .
csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:74483;
dbo:casNumber "1763-23-1" , "132324-11-9";
dbo:formula "C8HF17O3S";
dbo:inchi "InChI=1S/C8HF17O3S/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)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid"@en;
dbo:pubchem "74483"^^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";
dbp:inchikey "YFSUTJLHUFNCNZ-UHFFFAOYSA-N";
skos:altLabel "perfluoroctaansulfonzuur (lineair)"@nl , "perfluoroctaansul-fonzuur en zijn derivaten (pfos)"@nl , "perfluor-n-octaansulfonzuur"@nl;
skos:broader csc:CHEMONTID_0003960;
skos:exactMatch wise:CAS_1763-23-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFOS";
skos:prefLabel "perfluoroctaansulfonzuur (pfos)"@nl .
csc:PXWUKZGIHQRDHL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:15359;
dbo:casNumber "1610-17-9";
dbo:formula "C9H17N5O";
dbo:inchi "InChI=1S/C9H17N5O/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)";
dbo:iupacName "N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "15359"^^xsd:int;
dbo:smiles "CCNC1=NC(=NC(=N1)OC)NC(C)C";
dbp:inchikey "PXWUKZGIHQRDHL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004734;
skos:inScheme vlcs:chemische_stof;
skos:notation "attn";
skos:prefLabel "atraton"@nl .
csc:VHOVSQVSAAQANU-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:62781;
dbo:casNumber "15302-91-7" , "24307-26-4";
dbo:formula "C7H16ClN";
dbo:inchi "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1";
dbo:iupacName "1,1-dimethylpiperidin-1-ium chloride"@en;
dbo:pubchem "62781"^^xsd:int;
dbo:smiles "C[N+]1(CCCCC1)C.[Cl-]";
dbp:inchikey "VHOVSQVSAAQANU-UHFFFAOYSA-M";
skos:altLabel "mepiquat"@nl;
skos:broader csc:CHEMONTID_0000195;
skos:inScheme vlcs:chemische_stof;
skos:notation "mepqCl" , "mepqat";
skos:prefLabel "mepiquatchloride"@nl .
csc:YIKSCQDJHCMVMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10113;
dbo:casNumber "471-46-5" , "4745-68-0";
dbo:formula "C2H4N2O2";
dbo:inchi "InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)";
dbo:iupacName "OXAMIDE"@en;
dbo:pubchem "10113"^^xsd:int;
dbo:smiles "C(=O)(C(=O)N)N";
dbp:inchikey "YIKSCQDJHCMVMK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:inScheme vlcs:chemische_stof;
skos:notation "OaAd";
skos:prefLabel "oxamide"@nl .
csc:ZFIVKAOQEXOYFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11254;
dbo:casNumber "1464-53-5" , "298-18-0";
dbo:formula "C4H6O2";
dbo:inchi "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2";
dbo:iupacName "2-(oxiran-2-yl)oxirane"@en;
dbo:pubchem "11254"^^xsd:int;
dbo:smiles "C1C(O1)C2CO2";
dbp:inchikey "ZFIVKAOQEXOYFY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000159;
skos:inScheme vlcs:chemische_stof;
skos:notation "DepOxC4a";
skos:prefLabel "diepoxybutaan"@nl .
csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:338733;
dbo:casNumber "24518-48-7" , "84852-15-3";
dbo:formula "C15H24O";
dbo:inchi "InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3";
dbo:iupacName "4-(7-methyloctyl)phenol"@en;
dbo:pubchem "338733"^^xsd:int;
dbo:smiles "CC(C)CCCCCCC1=CC=C(C=C1)O";
dbp:inchikey "JSFITYFUKSFPBZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004646;
skos:exactMatch wise:CAS_84852-15-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "s4C9yFol";
skos:prefLabel "som 4-nonylfenol-isomeren (vertakt)"@nl .
csc:QYEGXUUXWMKHHS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:36093;
dbo:casNumber "32241-08-0" , "58863-15-3" , "26444-37-1";
dbo:formula "C10HCl7";
dbo:inchi "InChI=1S/C10HCl7/c11-2-1-3(12)6(13)5-4(2)7(14)9(16)10(17)8(5)15/h1H";
dbo:iupacName "1,2,3,4,5,6,8-Heptachloronaphthalene"@en;
dbo:pubchem "36093"^^xsd:int;
dbo:smiles "C1=C(C2=C(C(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "QYEGXUUXWMKHHS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004794;
skos:inScheme vlcs:chemische_stof;
skos:notation "HpClNaf";
skos:prefLabel "heptachloornaftaleen"@nl .
csc:OCJYIGYOJCODJL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4034;
dbo:casNumber "569-65-3";
dbo:formula "C25H27ClN2";
dbo:inchi "InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3";
dbo:iupacName "1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine"@en;
dbo:pubchem "4034"^^xsd:int;
dbo:smiles "CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl";
dbp:inchikey "OCJYIGYOJCODJL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "meczne";
skos:prefLabel "meclozine"@nl .
csc:WRYLYDPHFGVWKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11230;
dbo:casNumber "562-74-3" , "1336-05-6" , "28219-82-1";
dbo:formula "C10H18O";
dbo:inchi "InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3";
dbo:iupacName "4-methyl-1-propan-2-ylcyclohex-3-en-1-ol"@en;
dbo:pubchem "11230"^^xsd:int;
dbo:smiles "CC1=CCC(CC1)(C(C)C)O";
dbp:inchikey "WRYLYDPHFGVWKC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001401;
skos:inScheme vlcs:chemische_stof;
skos:notation "4terpnol";
skos:prefLabel "4-terpineol"@nl .
csc:SQNZJJAZBFDUTD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7269;
dbo:casNumber "95-93-2";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3";
dbo:iupacName "1,2,4,5-Tetramethylbenzene"@en;
dbo:pubchem "7269"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1C)C)C";
dbp:inchikey "SQNZJJAZBFDUTD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "1245T4C1yBen";
skos:prefLabel "1,2,4,5-tetramethylbenzeen"@nl .
csc:KXDAEFPNCMNJSK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:2331;
dbo:casNumber "55-21-0" , "27208-38-4";
dbo:formula "C7H7NO";
dbo:inchi "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)";
dbo:iupacName "Benzamide"@en;
dbo:pubchem "2331"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(=O)N";
dbp:inchikey "KXDAEFPNCMNJSK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000178;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzAd";
skos:prefLabel "benzamide"@nl .
csc:KSMVNVHUTQZITP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl;
rdfs:seeAlso compound:39929;
dbo:casNumber "51207-31-9";
dbo:formula "C12H4Cl4O";
dbo:inchi "InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H";
dbo:iupacName "2,3,7,8-TETRACHLORODIBENZOFURAN"@en;
dbo:pubchem "39929"^^xsd:int;
dbo:smiles "C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl";
dbp:inchikey "KSMVNVHUTQZITP-UHFFFAOYSA-N";
skos:altLabel "2,3,7,8-tetrachloordibenzofuraan (tecdf)"@nl , " 2,3,7,8-tetrachloordibenzofuraan"@nl , "2,3,7,8-tetrachloordibenzofuran"@nl;
skos:broader csc:CHEMONTID_0003029;
skos:exactMatch wise:CAS_51207-31-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF83";
skos:prefLabel "2,3,7,8-tetrachloordibenzofuraan"@nl .
csc:RJKCKKDSSSRYCB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:92299;
dbo:casNumber "35256-85-0";
dbo:formula "C15H23NO";
dbo:inchi "InChI=1S/C15H23NO/c1-12(2)16(14(17)15(3,4)5)11-13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3";
dbo:iupacName "2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide"@en;
dbo:pubchem "92299"^^xsd:int;
dbo:smiles "CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C";
dbp:inchikey "RJKCKKDSSSRYCB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "tebtm";
skos:prefLabel "tebutam"@nl .
csc:CVRALZAYCYJELZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:30709;
dbo:casNumber "21609-90-5" , "73270-49-2" , "73307-67-2" , "73307-66-1";
dbo:formula "C13H10BrCl2O2PS";
dbo:inchi "InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3";
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane"@en;
dbo:pubchem "30709"^^xsd:int;
dbo:smiles "COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl";
dbp:inchikey "CVRALZAYCYJELZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004767;
skos:inScheme vlcs:chemische_stof;
skos:notation "leptfs";
skos:prefLabel "leptofos"@nl .
csc:ZXQYGBMAQZUVMI-QQDHXZELSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6435500;
dbo:casNumber "91465-08-6";
dbo:formula "C23H19ClF3NO3";
dbo:inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-/t17-,18?,20-/m0/s1";
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate"@en;
dbo:pubchem "6435500"^^xsd:int;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C";
dbp:inchikey "ZXQYGBMAQZUVMI-QQDHXZELSA-N";
skos:broader csc:CHEMONTID_0001461;
skos:inScheme vlcs:chemische_stof;
skos:notation "lcyhltn";
skos:prefLabel "lambda-cyhalothrin"@nl .
csc:GXNNLIMMEXHBKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:38012;
dbo:casNumber "38379-99-6";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-1-2-8(14)7(5-6)11-9(15)3-4-10(16)12(11)17/h1-5H";
dbo:iupacName "1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene"@en;
dbo:pubchem "38012"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl";
dbp:inchikey "GXNNLIMMEXHBKV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB95";
skos:prefLabel "2,2',3,5',6-pentachloorbifenyl"@nl .
csc:HPXRVTGHNJAIIH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7966;
dbo:casNumber "108-93-0";
dbo:formula "C6H12O";
dbo:inchi "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2";
dbo:iupacName "Cyclohexanol"@en;
dbo:pubchem "7966"^^xsd:int;
dbo:smiles "C1CCC(CC1)O";
dbp:inchikey "HPXRVTGHNJAIIH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002647;
skos:inScheme vlcs:chemische_stof;
skos:notation "cycC6ol";
skos:prefLabel "cyclohexanol"@nl .
csc:ZVQXQPNJHRNGID-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:18745;
dbo:casNumber "3333-52-6";
dbo:formula "C8H12N2";
dbo:inchi "InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3";
dbo:iupacName "2,2,3,3-Tetramethylbutanedinitrile"@en;
dbo:pubchem "18745"^^xsd:int;
dbo:smiles "CC(C)(C#N)C(C)(C)C#N";
dbp:inchikey "ZVQXQPNJHRNGID-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000362;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4C1yC4aDntl";
skos:prefLabel "tetramethylbutaandinitril"@nl .
csc:DXBHBZVCASKNBY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II (D2) 'benzo(a)antraceen'"@nl;
rdfs:seeAlso compound:5954;
dbo:casNumber "56-55-3";
dbo:formula "C18H12";
dbo:inchi "InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H";
dbo:iupacName "Benzo[a]anthracene"@en;
dbo:pubchem "5954"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32";
dbp:inchikey "DXBHBZVCASKNBY-UHFFFAOYSA-N";
skos:altLabel "benzo(a)antraceen"@nl , "benzo(a)antra-ceen"@nl , "benz(a)anthraceen"@nl;
skos:broader csc:CHEMONTID_0000025;
skos:exactMatch wise:CAS_56-55-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "BaA";
skos:prefLabel "benzo(a)anthraceen"@nl .
csc:QYMMJNLHFKGANY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:38779;
dbo:casNumber "81123-19-5" , "41198-08-7" , "81116-98-5" , "61230-42-0" , "61287-51-2";
dbo:formula "C11H15BrClO3PS";
dbo:inchi "InChI=1S/C11H15BrClO3PS/c1-3-7-18-17(14,15-4-2)16-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3";
dbo:iupacName "4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene"@en;
dbo:pubchem "38779"^^xsd:int;
dbo:smiles "CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl";
dbp:inchikey "QYMMJNLHFKGANY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004742;
skos:inScheme vlcs:chemische_stof;
skos:notation "profnfs";
skos:prefLabel "profenofos"@nl .
csc:NATWUQFQFMZVMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:14110;
dbo:casNumber "1077-56-1";
dbo:formula "C9H13NO2S";
dbo:inchi "InChI=1S/C9H13NO2S/c1-3-10-13(11,12)9-7-5-4-6-8(9)2/h4-7,10H,3H2,1-2H3";
dbo:iupacName "N-Ethyl-2-methylbenzenesulfonamide"@en;
dbo:pubchem "14110"^^xsd:int;
dbo:smiles "CCNS(=O)(=O)C1=CC=CC=C1C";
dbp:inchikey "NATWUQFQFMZVMT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2y2C1yBensf";
skos:prefLabel "ethyl-2-methylbenzeensulfonamide"@nl .
csc:JOATXPAWOHTVSZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2663;
dbo:casNumber "56980-93-9";
dbo:formula "C20H33N3O4";
dbo:inchi "InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)";
dbo:iupacName "3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea"@en;
dbo:pubchem "2663"^^xsd:int;
dbo:smiles "CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C";
dbp:inchikey "JOATXPAWOHTVSZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004298;
skos:inScheme vlcs:chemische_stof;
skos:notation "celpll";
skos:prefLabel "celiprolol"@nl .
csc:PVLKQJLDEXCKNY-JYLPYTDFSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6321393;
dbo:casNumber "25317-45-7" , "6459-94-5";
dbo:formula "C37H28N4Na2O10S3";
dbo:inchi "InChI=1S/C37H30N4O10S3.2Na/c1-22-4-13-30(14-5-22)54(49,50)51-29-11-9-28(10-12-29)38-39-32-15-6-25(18-23(32)2)26-7-16-33(24(3)19-26)40-41-37-34(42)17-8-27-20-31(52(43,44)45)21-35(36(27)37)53(46,47)48;;/h4-21,40H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38?,41-37-;;";
dbo:iupacName "disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate"@en;
dbo:pubchem "6321393"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C=C4)NN=C5C(=O)C=CC6=C5C(=CC(=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C.[Na+].[Na+]";
dbp:inchikey "PVLKQJLDEXCKNY-JYLPYTDFSA-L";
skos:altLabel "c.i. acid red 114"@nl;
skos:broader csc:CHEMONTID_0003370;
skos:inScheme vlcs:chemische_stof;
skos:notation "ciard114";
skos:prefLabel "C.I. Acid Red 114"@nl .
csc:UIWYJDYFSGRHKR-AHCXROLUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:161049;
dbo:casNumber "14276-65-4";
dbo:formula "Gd";
dbo:inchi "InChI=1S/Gd/i1-4";
dbo:iupacName "gadolinium-153"@en;
dbo:pubchem "161049"^^xsd:int;
dbo:smiles "[Gd]";
dbp:inchikey "UIWYJDYFSGRHKR-AHCXROLUSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Gd153";
skos:prefLabel "gadolinium 153"@nl .
csc:GRWFGVWFFZKLTI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6654;
dbo:casNumber "102640-64-2" , "39388-04-0" , "39423-40-0" , "50815-61-7" , "68411-25-6" , "57762-87-5" , "56833-58-0" , "80-56-8" , "67762-73-6" , "53569-35-0" , "2437-95-8" , "25766-18-1" , "72510-05-5" , "103657-08-5";
dbo:formula "C10H16";
dbo:inchi "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3";
dbo:iupacName "4,7,7-trimethylbicyclo[3.1.1]hept-3-ene"@en;
dbo:pubchem "6654"^^xsd:int;
dbo:smiles "CC1=CCC2CC1C2(C)C";
dbp:inchikey "GRWFGVWFFZKLTI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001564;
skos:inScheme vlcs:chemische_stof;
skos:notation "apnn";
skos:prefLabel "alfa-pineen"@nl .
csc:VMUNAKQXJLHODT-VAWYXSNFSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5283363;
dbo:casNumber "7774-82-5" , "7069-41-2";
dbo:formula "C13H24O";
dbo:inchi "InChI=1S/C13H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-10H2,1H3/b12-11+";
dbo:iupacName "['tridec-2-enal', '(E)-tridec-2-enal']"@en;
dbo:pubchem "5283363"^^xsd:int;
dbo:smiles "CCCCCCCCCCC=CC=O";
dbp:inchikey "VMUNAKQXJLHODT-VAWYXSNFSA-N";
skos:broader csc:CHEMONTID_0000298;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C10yacline";
skos:prefLabel "3-decylacroleine"@nl .
csc:JFIMDKGRGPNPRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:38411;
dbo:casNumber "55684-91-8" , "40186-72-9" , "53742-07-7";
dbo:formula "C12HCl9";
dbo:inchi "InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H";
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene"@en;
dbo:pubchem "38411"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "JFIMDKGRGPNPRQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB206";
skos:prefLabel "2,2',3,3',4,4',5,5',6-nonachloorbifenyl"@nl .
csc:REDXJYDRNCIFBQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:104727;
dbo:casNumber "22537-23-1";
dbo:formula "Al+3";
dbo:inchi "InChI=1S/Al/q+3";
dbo:iupacName "aluminum(+3) cation"@en;
dbo:pubchem "104727"^^xsd:int;
dbo:smiles "[Al+3]";
dbp:inchikey "REDXJYDRNCIFBQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000427;
skos:inScheme vlcs:chemische_stof;
skos:notation "AlIII";
skos:prefLabel "aluminium (driewaardig)"@nl .
csc:UMGXUWVIJIQANV-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16957;
dbo:casNumber "2390-68-3" , "20256-56-8";
dbo:formula "C22H48BrN";
dbo:inchi "InChI=1S/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "didecyl-dimethylazanium bromide"@en;
dbo:pubchem "16957"^^xsd:int;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]";
dbp:inchikey "UMGXUWVIJIQANV-UHFFFAOYSA-M";
skos:altLabel "didecyldimethylammonium"@nl;
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "DDMAB";
skos:prefLabel "didecyldimethylammoniumbromide"@nl .
csc:RAGOYPUPXAKGKH-XAKZXMRKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:468595;
dbo:casNumber "171228-49-2";
dbo:formula "C37H42F2N8O4";
dbo:inchi "InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1";
dbo:iupacName "4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-[(2S,3S)-2-hydroxypentan-3-yl]-1,2,4-triazol-3-one"@en;
dbo:pubchem "468595"^^xsd:int;
dbo:smiles "CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F";
dbp:inchikey "RAGOYPUPXAKGKH-XAKZXMRKSA-N";
skos:broader csc:CHEMONTID_0001984;
skos:inScheme vlcs:chemische_stof;
skos:notation "poscnzl";
skos:prefLabel "posaconazol"@nl .
csc:UPGTYLFCVNHBTN-XMLQVSDQSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6441561;
dbo:casNumber "566-89-2" , "70755-51-0" , "6810-14-6" , "137760-64-6" , "136897-21-7" , "34347-28-9";
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/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6+/t19-,21+,22+,23?,24+,25+,26+,27-/m1/s1";
dbo:iupacName "(3S,8S,9S,10R,13R,14S)-10,13-dimethyl-17-[(E,2R)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en;
dbo:pubchem "6441561"^^xsd:int;
dbo:smiles "CC(C)CC=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C";
dbp:inchikey "UPGTYLFCVNHBTN-XMLQVSDQSA-N";
skos:broader csc:CHEMONTID_0001469;
skos:inScheme vlcs:chemische_stof;
skos:notation "chol522Den3b";
skos:prefLabel "cholesta-5,22-dien-3-beta-ol"@nl .
csc:ZDHYERRNXRANLI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:19578;
dbo:casNumber "3761-42-0";
dbo:formula "C10H15O5PS2";
dbo:inchi "InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3";
dbo:iupacName "dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane"@en;
dbo:pubchem "19578"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C";
dbp:inchikey "ZDHYERRNXRANLI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "fentosfn";
skos:prefLabel "fenthion-sulfon"@nl .
csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:16248;
dbo:casNumber "716-16-5" , "2032-65-7";
dbo:formula "C11H15NO2S";
dbo:inchi "InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)";
dbo:iupacName "(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate"@en;
dbo:pubchem "16248"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1SC)C)OC(=O)NC";
dbp:inchikey "YFBPRJGDJKVWAH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004742;
skos:exactMatch wise:CAS_2032-65-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "metocb";
skos:prefLabel "methiocarb"@nl .
csc:WSWCOQWTEOXDQX-MQQKCMAXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:643460;
dbo:casNumber "5309-56-8" , "110-44-1" , "91751-55-2" , "22500-92-1";
dbo:formula "C6H8O2";
dbo:inchi "InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+";
dbo:iupacName "['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid']"@en;
dbo:pubchem "643460"^^xsd:int;
dbo:smiles "CC=CC=CC(=O)O";
dbp:inchikey "WSWCOQWTEOXDQX-MQQKCMAXSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "sorbnzr";
skos:prefLabel "sorbinezuur"@nl .
csc:IJJVMEJXYNJXOJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:86417;
dbo:casNumber "136426-54-5";
dbo:formula "C16H8Cl2FN5O";
dbo:inchi "InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H";
dbo:iupacName "3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one"@en;
dbo:pubchem "86417"^^xsd:int;
dbo:smiles "C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl";
dbp:inchikey "IJJVMEJXYNJXOJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002314;
skos:inScheme vlcs:chemische_stof;
skos:notation "fluqcnzl";
skos:prefLabel "fluquinconazool"@nl .
csc:QQONPFPTGQHPMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8252;
dbo:casNumber "676-63-1" , "33004-01-2" , "115-07-1";
dbo:formula "C3H6";
dbo:inchi "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3";
dbo:iupacName "prop-1-ene"@en;
dbo:pubchem "8252"^^xsd:int;
dbo:smiles "CC=C";
dbp:inchikey "QQONPFPTGQHPMA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004476;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C3e";
skos:prefLabel "1-propeen"@nl .
csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:977;
dbo:casNumber "14797-70-7" , "12185-07-8" , "80937-33-3" , "1338-93-8" , "58238-79-2" , "80217-98-7" , "7782-44-7";
dbo:formula "O2";
dbo:inchi "InChI=1S/O2/c1-2";
dbo:iupacName "Molecular oxygen"@en;
dbo:pubchem "977"^^xsd:int;
dbo:smiles "O=O";
dbp:inchikey "MYMOFIZGZYHOMD-UHFFFAOYSA-N";
skos:altLabel "Zuurstof (O2)"@nl;
skos:broader csc:CHEMONTID_0000554;
skos:inScheme vlcs:chemische_stof;
skos:notation "O2";
skos:prefLabel "zuurstof"@nl .
csc:FRPZMMHWLSIFAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5634;
dbo:casNumber "112-38-9" , "1333-28-4";
dbo:formula "C11H20O2";
dbo:inchi "InChI=1S/C11H20O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2H,1,3-10H2,(H,12,13)";
dbo:iupacName "Undec-10-enoic acid"@en;
dbo:pubchem "5634"^^xsd:int;
dbo:smiles "C=CCCCCCCCCC(=O)O";
dbp:inchikey "FRPZMMHWLSIFAZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "C11ezr";
skos:prefLabel "undeceenzuur"@nl .
csc:JLEKLYQXZHJOTQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:45489782;
dbo:casNumber "33665-90-6" , "55589-62-3";
dbo:formula "C4H4KNO4S";
dbo:inchi "InChI=1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6,7,8);/q;+1/p-1";
dbo:iupacName "['potassium 6-methyl-2,2-dioxooxathiazin-4-olate', 'potassium 6-methyl-2,2-dioxo-1-oxa-2$l^{6}-thia-3-azanidacyclohex-5-en-4-one']"@en;
dbo:pubchem "45489782"^^xsd:int;
dbo:smiles "CC1=CC(=O)N=S(=O)(O1)[O-].[K+]";
dbp:inchikey "JLEKLYQXZHJOTQ-UHFFFAOYSA-M";
skos:altLabel "acesulfame K"@nl , "acesulfaam"@nl;
skos:broader csc:CHEMONTID_0000265;
skos:inScheme vlcs:chemische_stof;
skos:notation "acsfmeK" , "acsfm";
skos:prefLabel "acesulfame k"@nl .
csc:HYTRYEXINDDXJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11265;
dbo:casNumber "565-69-5";
dbo:formula "C6H12O";
dbo:inchi "InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3";
dbo:iupacName "2-Methylpentan-3-one"@en;
dbo:pubchem "11265"^^xsd:int;
dbo:smiles "CCC(=O)C(C)C";
dbp:inchikey "HYTRYEXINDDXJK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y3C5on";
skos:prefLabel "2-methyl-3-pentanon"@nl .
csc:MPPOHAUSNPTFAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:86134;
dbo:casNumber "113158-40-0" , "95617-09-7" , "108093-88-5" , "73519-55-8";
dbo:formula "C16H12ClNO5";
dbo:inchi "InChI=1S/C16H12ClNO5/c1-9(15(19)20)21-11-3-5-12(6-4-11)22-16-18-13-7-2-10(17)8-14(13)23-16/h2-9H,1H3,(H,19,20)";
dbo:iupacName "2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid"@en;
dbo:pubchem "86134"^^xsd:int;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl";
dbp:inchikey "MPPOHAUSNPTFAJ-UHFFFAOYSA-N";
skos:altLabel "fenoxaprop-P"@nl;
skos:broader csc:CHEMONTID_0004674;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenoxppP";
skos:prefLabel "fenoxaprop-p"@nl .
csc:INYDMNPNDHRJQJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11883;
dbo:casNumber "610-39-9";
dbo:formula "C7H6N2O4";
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3";
dbo:iupacName "4-Methyl-1,2-dinitrobenzene"@en;
dbo:pubchem "11883"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "INYDMNPNDHRJQJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003969;
skos:inScheme vlcs:chemische_stof;
skos:notation "34DNO2Tol";
skos:prefLabel "3,4-dinitrotolueen"@nl .
csc:QCAHVKJGHYVLIS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:77407;
dbo:casNumber "3776-30-5";
dbo:formula "C6H6Cl4O";
dbo:inchi "InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2";
dbo:iupacName "2,2,6,6-Tetrachlorocyclohexan-1-one"@en;
dbo:pubchem "77407"^^xsd:int;
dbo:smiles "C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl";
dbp:inchikey "QCAHVKJGHYVLIS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004809;
skos:inScheme vlcs:chemische_stof;
skos:notation "2266T4ClccC6";
skos:prefLabel "2,2,6,6-tetrachloorcyclohexanon"@nl .
csc:XOGYQVITULCUGU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12469;
dbo:casNumber "634-91-3";
dbo:formula "C6H4Cl3N";
dbo:inchi "InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2";
dbo:iupacName "3,4,5-TRICHLOROANILINE"@en;
dbo:pubchem "12469"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)N";
dbp:inchikey "XOGYQVITULCUGU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "345TClAn";
skos:prefLabel "3,4,5-trichlooraniline"@nl .
csc:ATBAMAFKBVZNFJ-YPZZEJLDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6335489;
dbo:casNumber "13966-02-4";
dbo:formula "Be";
dbo:inchi "InChI=1S/Be/i1-2";
dbo:iupacName "beryllium-7"@en;
dbo:pubchem "6335489"^^xsd:int;
dbo:smiles "[Be]";
dbp:inchikey "ATBAMAFKBVZNFJ-YPZZEJLDSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:inScheme vlcs:chemische_stof;
skos:notation "Be7";
skos:prefLabel "beryllium 7"@nl .
csc:QKLPUVXBJHRFQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:66890;
dbo:casNumber "102-65-8" , "27890-59-1";
dbo:formula "C10H9ClN4O2S";
dbo:inchi "InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)";
dbo:iupacName "4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide"@en;
dbo:pubchem "66890"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl";
dbp:inchikey "QKLPUVXBJHRFQZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001925;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "sulfaclozine"@nl .
csc:SECPZKHBENQXJG-BQYQJAHWSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5282745;
dbo:casNumber "2091-29-4" , "10030-73-6";
dbo:formula "C16H30O2";
dbo:inchi "InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7+";
dbo:iupacName "['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid']"@en;
dbo:pubchem "5282745"^^xsd:int;
dbo:smiles "CCCCCCC=CCCCCCCCC(=O)O";
dbp:inchikey "SECPZKHBENQXJG-BQYQJAHWSA-N";
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "9C16ezr";
skos:prefLabel "9-hexadeceenzuur"@nl .
csc:GUVLYNGULCJVDO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12968;
dbo:casNumber "759-94-4";
dbo:formula "C9H19NOS";
dbo:inchi "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3";
dbo:iupacName "S-ethyl (dipropylamino)methanethioate"@en;
dbo:pubchem "12968"^^xsd:int;
dbo:smiles "CCCN(CCC)C(=O)SCC";
dbp:inchikey "GUVLYNGULCJVDO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001368;
skos:inScheme vlcs:chemische_stof;
skos:notation "EPTC";
skos:prefLabel "ethyldipropylthiocarbamaat"@nl .
csc:GXDHCNNESPLIKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:11582;
dbo:casNumber "591-76-4" , "31394-54-4";
dbo:formula "C7H16";
dbo:inchi "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3";
dbo:iupacName "2-Methylhexane"@en;
dbo:pubchem "11582"^^xsd:int;
dbo:smiles "CCCCC(C)C";
dbp:inchikey "GXDHCNNESPLIKD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yC6a";
skos:prefLabel "2-methylhexaan"@nl .
csc:YFSLABAYQDPWPF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:40473;
dbo:casNumber "52663-66-8";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-3-7(10(16)9(15)4-5)6-1-2-8(14)12(18)11(6)17/h1-4H";
dbo:iupacName "1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene"@en;
dbo:pubchem "40473"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "YFSLABAYQDPWPF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB130";
skos:prefLabel "2,2',3,3',4,5'-hexachloorbifenyl"@nl .
csc:KKEYFWRCBNTPAC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7489;
dbo:casNumber "100-21-0" , "211863-90-0";
dbo:formula "C8H6O4";
dbo:inchi "InChI=1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)";
dbo:iupacName "Terephthalic acid"@en;
dbo:pubchem "7489"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(=O)O)C(=O)O";
dbp:inchikey "KKEYFWRCBNTPAC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001108;
skos:inScheme vlcs:chemische_stof;
skos:notation "terfzr";
skos:prefLabel "tereftaalzuur"@nl .
csc:NUNQKTCKURIZQX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:40007;
dbo:casNumber "51422-54-9";
dbo:formula "C8H18O2";
dbo:inchi "InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3";
dbo:iupacName "2-(2-Ethoxyethoxy)-2-methylpropane"@en;
dbo:pubchem "40007"^^xsd:int;
dbo:smiles "CCOCCOC(C)(C)C";
dbp:inchikey "NUNQKTCKURIZQX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "1tC4ox2C2oxC";
skos:prefLabel "1-tert-butoxy-2-ethoxyethaan"@nl .
csc:LYAGTVMJGHTIDH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:61198;
dbo:casNumber "66492-77-1" , "693-21-0";
dbo:formula "C4H8N2O7";
dbo:inchi "InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2";
dbo:iupacName "2-(2-nitrooxyethoxy)ethyl nitrate"@en;
dbo:pubchem "61198"^^xsd:int;
dbo:smiles "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]";
dbp:inchikey "LYAGTVMJGHTIDH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004091;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2yegcDNO3";
skos:prefLabel "diethyleenglycoldinitraat"@nl .
csc:KZNRNQGTVRTDPN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:32883;
dbo:casNumber "35442-53-6" , "95-72-7";
dbo:formula "C8H9Cl";
dbo:inchi "InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3";
dbo:iupacName "2-Chloro-1,4-dimethylbenzene"@en;
dbo:pubchem "32883"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)C)Cl";
dbp:inchikey "KZNRNQGTVRTDPN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004211;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl14C1yBen";
skos:prefLabel "2-chloor-1,4-dimethylbenzeen"@nl .
csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7931;
dbo:casNumber "108-41-8";
dbo:formula "C7H7Cl";
dbo:inchi "InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3";
dbo:iupacName "1-Chloro-3-methylbenzene"@en;
dbo:pubchem "7931"^^xsd:int;
dbo:smiles "CC1=CC(=CC=C1)Cl";
dbp:inchikey "OSOUNOBYRMOXQQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:exactMatch wise:CAS_108-41-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "3ClTol";
skos:prefLabel "3-chloortolueen"@nl .
csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13619;
dbo:casNumber "933-78-8";
dbo:formula "C6H3Cl3O";
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H";
dbo:iupacName "2,3,5-TRICHLOROPHENOL"@en;
dbo:pubchem "13619"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1O)Cl)Cl)Cl";
dbp:inchikey "WWGQHTJIFOQAOC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002771;
skos:exactMatch wise:CAS_933-78-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "235TClFol";
skos:prefLabel "2,3,5-trichloorfenol"@nl .
csc:HCHKCACWOHOZIP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:23994;
dbo:casNumber "199281-21-5" , "19229-95-9" , "7440-66-6" , "15176-26-8" , "195161-85-4" , "12793-53-2";
dbo:formula "Zn";
dbo:inchi "InChI=1S/Zn";
dbo:iupacName "Zinc"@en;
dbo:pubchem "23994"^^xsd:int;
dbo:smiles "[Zn]";
dbp:inchikey "HCHKCACWOHOZIP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:exactMatch wise:CAS_7440-66-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "Zn";
skos:prefLabel "zink"@nl .
csc:MUBZPKHOEPUJKR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:971;
dbo:casNumber "63504-28-9" , "97993-78-7" , "2847-15-6" , "144-62-7" , "216451-38-6";
dbo:formula "C2H2O4";
dbo:inchi "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)";
dbo:iupacName "oxalic acid"@en;
dbo:pubchem "971"^^xsd:int;
dbo:smiles "C(=O)(C(=O)O)O";
dbp:inchikey "MUBZPKHOEPUJKR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000346;
skos:inScheme vlcs:chemische_stof;
skos:notation "oxzr";
skos:prefLabel "oxaalzuur"@nl .
csc:DOOTYTYQINUNNV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6506;
dbo:casNumber "77-93-0";
dbo:formula "C12H20O7";
dbo:inchi "InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3";
dbo:iupacName "1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate"@en;
dbo:pubchem "6506"^^xsd:int;
dbo:smiles "CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O";
dbp:inchikey "DOOTYTYQINUNNV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001986;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC2ycitt";
skos:prefLabel "triethylcitraat"@nl .
csc:FWQYJOPJMIEKHZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:94411;
dbo:casNumber "30391-89-0";
dbo:formula "C10H14N2O";
dbo:inchi "InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-5-3-4-6-9(8)11/h3-7H,11H2,1-2H3,(H,12,13)";
dbo:iupacName "2-amino-N-propan-2-ylbenzamide"@en;
dbo:pubchem "94411"^^xsd:int;
dbo:smiles "CC(C)NC(=O)C1=CC=CC=C1N";
dbp:inchikey "FWQYJOPJMIEKHZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004413;
skos:inScheme vlcs:chemische_stof;
skos:notation "iC3yantnlAd";
skos:prefLabel "isopropylanthranilamide"@nl .
csc:KLSJWNVTNUYHDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1639;
dbo:casNumber "61-82-5" , "30922-30-6" , "155-25-9" , "65312-61-0" , "6051-75-8" , "16681-74-6" , "11121-00-9" , "29212-82-6";
dbo:formula "C2H4N4";
dbo:inchi "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)";
dbo:iupacName "2H-1,2,4-triazol-3-amine"@en;
dbo:pubchem "1639"^^xsd:int;
dbo:smiles "C1=NNC(=N1)N";
dbp:inchikey "KLSJWNVTNUYHDU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000099;
skos:inScheme vlcs:chemische_stof;
skos:notation "amtl";
skos:prefLabel "amitrol"@nl .
csc:RTZZCYNQPHTPPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11137;
dbo:casNumber "554-84-7";
dbo:formula "C6H5NO3";
dbo:inchi "InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H";
dbo:iupacName "3-Nitrophenol"@en;
dbo:pubchem "11137"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)O)[N+](=O)[O-]";
dbp:inchikey "RTZZCYNQPHTPPL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000141;
skos:inScheme vlcs:chemische_stof;
skos:notation "3NO2Fol";
skos:prefLabel "3-nitrofenol"@nl .
csc:UWNADWZGEHDQAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11592;
dbo:casNumber "592-13-2";
dbo:formula "C8H18";
dbo:inchi "InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3";
dbo:iupacName "2,5-Dimethylhexane"@en;
dbo:pubchem "11592"^^xsd:int;
dbo:smiles "CC(C)CCC(C)C";
dbp:inchikey "UWNADWZGEHDQAB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "25DC1yC6a";
skos:prefLabel "2,5-dimethylhexaan"@nl .
csc:HPFVBGJFAYZEBE-ZLQWOROUSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:441404;
dbo:casNumber "58-20-8";
dbo:formula "C27H40O3";
dbo:inchi "InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1";
dbo:iupacName "[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate"@en;
dbo:pubchem "441404"^^xsd:int;
dbo:smiles "CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35C";
dbp:inchikey "HPFVBGJFAYZEBE-ZLQWOROUSA-N";
skos:broader csc:CHEMONTID_0001691;
skos:inScheme vlcs:chemische_stof;
skos:notation "testtrcpont";
skos:prefLabel "testosteron cypionaat"@nl .
csc:FDPIMTJIUBPUKL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7288;
dbo:casNumber "96-22-0";
dbo:formula "C5H10O";
dbo:inchi "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3";
dbo:iupacName "pentan-3-one"@en;
dbo:pubchem "7288"^^xsd:int;
dbo:smiles "CCC(=O)CC";
dbp:inchikey "FDPIMTJIUBPUKL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C5on";
skos:prefLabel "3-pentanon"@nl .
csc:WQNQTJSLPDZSDK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:157337;
dbo:casNumber "80475-32-7";
dbo:formula "C13H17F13N2O3S";
dbo:inchi "InChI=1S/C13H17F13N2O3S/c1-27(2)5-3-6-28(29)32(30,31)7-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h28H,3-7H2,1-2H3";
dbo:iupacName "3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide"@en;
dbo:pubchem "157337"^^xsd:int;
dbo:smiles "CN(C)CCC[NH+]([O-])S(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "WQNQTJSLPDZSDK-UHFFFAOYSA-N";
skos:altLabel "N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide"@nl;
skos:broader csc:CHEMONTID_0000270;
skos:inScheme vlcs:chemische_stof;
skos:notation "Capstone A (DPOSA)";
skos:prefLabel "n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide"@nl .
csc:GZUXJHMPEANEGY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6323;
dbo:casNumber "74-83-9";
dbo:formula "CH3Br";
dbo:inchi "InChI=1S/CH3Br/c1-2/h1H3";
dbo:iupacName "Bromomethane"@en;
dbo:pubchem "6323"^^xsd:int;
dbo:smiles "CBr";
dbp:inchikey "GZUXJHMPEANEGY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004157;
skos:exactMatch wise:CAS_74-83-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrC1a";
skos:prefLabel "broommethaan"@nl .
csc:GYHFUZHODSMOHU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:31289;
dbo:casNumber "124-19-6" , "75718-12-6";
dbo:formula "C9H18O";
dbo:inchi "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3";
dbo:iupacName "Nonanal"@en;
dbo:pubchem "31289"^^xsd:int;
dbo:smiles "CCCCCCCCC=O";
dbp:inchikey "GYHFUZHODSMOHU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002229;
skos:inScheme vlcs:chemische_stof;
skos:notation "C9al";
skos:prefLabel "nonanal"@nl .
csc:WCUXLLCKKVVCTQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4873;
dbo:casNumber "59217-68-4" , "12599-00-7" , "126415-35-8" , "7447-40-7";
dbo:formula "ClK";
dbo:inchi "InChI=1S/ClH.K/h1H;/q;+1/p-1";
dbo:iupacName "Potassium chloride"@en;
dbo:pubchem "4873"^^xsd:int;
dbo:smiles "[Cl-].[K+]";
dbp:inchikey "WCUXLLCKKVVCTQ-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000563;
skos:inScheme vlcs:chemische_stof;
skos:notation "KCl";
skos:prefLabel "kaliumchloride"@nl .
csc:JRLPEMVDPFPYPJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12160;
dbo:casNumber "622-96-8";
dbo:formula "C9H12";
dbo:inchi "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3";
dbo:iupacName "1-Ethyl-4-methylbenzene"@en;
dbo:pubchem "12160"^^xsd:int;
dbo:smiles "CCC1=CC=C(C=C1)C";
dbp:inchikey "JRLPEMVDPFPYPJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001091;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C2yTol";
skos:prefLabel "4-ethyltolueen"@nl .
csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:8113;
dbo:casNumber "111-42-2" , "61791-44-4" , "61791-46-6" , "8033-73-6";
dbo:formula "C4H11NO2";
dbo:inchi "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2";
dbo:iupacName "2-(2-Hydroxyethylamino)ethanol"@en;
dbo:pubchem "8113"^^xsd:int;
dbo:smiles "C(CO)NCCO";
dbp:inchikey "ZBCBWPMODOFKDW-UHFFFAOYSA-N";
skos:altLabel "diethanolamine"@nl;
skos:broader csc:CHEMONTID_0001897;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2olAe";
skos:prefLabel "2,2’-iminodiethanol"@nl .
csc:JLTDJTHDQAWBAV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:949;
dbo:casNumber "171745-67-8" , "162744-63-0" , "121-69-7" , "168153-21-7";
dbo:formula "C8H11N";
dbo:inchi "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3";
dbo:iupacName "N,N-dimethylaniline"@en;
dbo:pubchem "949"^^xsd:int;
dbo:smiles "CN(C)C1=CC=CC=C1";
dbp:inchikey "JLTDJTHDQAWBAV-UHFFFAOYSA-N";
skos:altLabel "n,n-dimethylaniline"@nl;
skos:broader csc:CHEMONTID_0003901;
skos:inScheme vlcs:chemische_stof;
skos:notation "NNDC1yAn";
skos:prefLabel "N,N-dimethylaniline"@nl .
csc:SCYULBFZEHDVBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6365;
dbo:casNumber "75-34-3";
dbo:formula "C2H4Cl2";
dbo:inchi "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3";
dbo:iupacName "1,1-DICHLOROETHANE"@en;
dbo:pubchem "6365"^^xsd:int;
dbo:smiles "CC(Cl)Cl";
dbp:inchikey "SCYULBFZEHDVBN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:exactMatch wise:CAS_75-34-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "11DClC2a";
skos:prefLabel "1,1-dichloorethaan"@nl .
csc:DROMNWUQASBTFM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6787;
dbo:casNumber "68648-92-0" , "68515-45-7" , "84-76-4";
dbo:formula "C26H42O4";
dbo:inchi "InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3";
dbo:iupacName "dinonyl benzene-1,2-dicarboxylate"@en;
dbo:pubchem "6787"^^xsd:int;
dbo:smiles "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC";
dbp:inchikey "DROMNWUQASBTFM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC9yFt";
skos:prefLabel "dinonylftalaat"@nl .
csc:CZRQXSDBMCMPNJ-ZUIPZQNBSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5362118;
dbo:casNumber "82009-35-6" , "76547-98-3" , "83915-83-7";
dbo:formula "C21H35N3O7";
dbo:inchi "InChI=1S/C21H31N3O5.2H2O/c22-13-5-4-9-16(19(25)24-14-6-10-18(24)21(28)29)23-17(20(26)27)12-11-15-7-2-1-3-8-15;;/h1-3,7-8,16-18,23H,4-6,9-14,22H2,(H,26,27)(H,28,29);2*1H2/t16-,17-,18-;;/m0../s1";
dbo:iupacName "(2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate"@en;
dbo:pubchem "5362118"^^xsd:int;
dbo:smiles "C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O";
dbp:inchikey "CZRQXSDBMCMPNJ-ZUIPZQNBSA-N";
skos:broader csc:CHEMONTID_0004830;
skos:inScheme vlcs:chemische_stof;
skos:notation "lisnpl";
skos:prefLabel "lisinopril"@nl .
csc:UWTUEMKLYAGTNQ-OWOJBTEDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:637929;
dbo:casNumber "31389-08-9" , "590-12-5" , "25429-23-6";
dbo:formula "C2H2Br2";
dbo:inchi "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+";
dbo:iupacName "['(E)-1,2-Dibromoethene', '1,2-Dibromoethene']"@en;
dbo:pubchem "637929"^^xsd:int;
dbo:smiles "C(=CBr)Br";
dbp:inchikey "UWTUEMKLYAGTNQ-OWOJBTEDSA-N";
skos:broader csc:CHEMONTID_0002864;
skos:inScheme vlcs:chemische_stof;
skos:notation "c12DBrC2e";
skos:prefLabel "cis-1,2-dibroometheen"@nl .
csc:RMBFBMJGBANMMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8461;
dbo:casNumber "185376-54-9" , "1326-41-6" , "121-14-2" , "25321-14-6";
dbo:formula "C7H6N2O4";
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3";
dbo:iupacName "['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline']"@en;
dbo:pubchem "8461"^^xsd:int;
dbo:smiles "CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "RMBFBMJGBANMMK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003969;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DNO2Tol";
skos:prefLabel "2,4-dinitrotolueen"@nl .
csc:CTKINSOISVBQLD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11164;
dbo:casNumber "61915-27-3" , "98913-54-3" , "556-52-5";
dbo:formula "C3H6O2";
dbo:inchi "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2";
dbo:iupacName "oxiran-2-ylmethanol"@en;
dbo:pubchem "11164"^^xsd:int;
dbo:smiles "C1C(O1)CO";
dbp:inchikey "CTKINSOISVBQLD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000159;
skos:inScheme vlcs:chemische_stof;
skos:notation "glycdl";
skos:prefLabel "glycidol"@nl .
csc:KYYIDSXMWOZKMP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:125017;
dbo:casNumber "93413-62-8";
dbo:formula "C16H25NO2";
dbo:inchi "InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3";
dbo:iupacName "4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol"@en;
dbo:pubchem "125017"^^xsd:int;
dbo:smiles "CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O";
dbp:inchikey "KYYIDSXMWOZKMP-UHFFFAOYSA-N";
skos:altLabel "o-desmethylvenlafaxine"@nl;
skos:broader csc:CHEMONTID_0002647;
skos:inScheme vlcs:chemische_stof;
skos:notation "desvlfxne";
skos:prefLabel "desvenlafaxine"@nl .
csc:INGSNVSERUZOAK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:86863;
dbo:casNumber "19395-41-6";
dbo:formula "C13H17NO2";
dbo:inchi "InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)";
dbo:iupacName "2-phenyl-2-piperidin-2-ylacetic acid"@en;
dbo:pubchem "86863"^^xsd:int;
dbo:smiles "C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O";
dbp:inchikey "INGSNVSERUZOAK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003899;
skos:inScheme vlcs:chemische_stof;
skos:notation "ritlnzr";
skos:prefLabel "ritalinezuur"@nl .
csc:WSLDOOZREJYCGB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR II Art. 5.7.1.4/Art. 5.7.7.1"@nl , "VLAR III (D3)"@nl , "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:11;
dbo:casNumber "7572-29-4" , "52399-93-6" , "107-06-2";
dbo:formula "C2H4Cl2";
dbo:inchi "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2";
dbo:iupacName "['1,2-dichloroethane', '1,2-dichloroethyne']"@en;
dbo:pubchem "11"^^xsd:int;
dbo:smiles "C(CCl)Cl";
dbp:inchikey "WSLDOOZREJYCGB-UHFFFAOYSA-N";
skos:altLabel "1,2-dichloorethaan (edc)"@nl;
skos:broader csc:CHEMONTID_0001516;
skos:exactMatch wise:CAS_107-06-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DClC2a";
skos:prefLabel "1,2-dichloorethaan"@nl .
csc:DUBNHZYBDBBJHD-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8722;
dbo:casNumber "17125-91-6" , "19488-81-4" , "8070-07-3" , "31300-71-7" , "111922-61-3" , "12768-61-5" , "55870-88-7" , "98391-07-2" , "12773-04-5" , "50933-80-7" , "14460-20-9" , "8059-74-3" , "137-30-4" , "14459-91-7";
dbo:formula "C6H12N2S4Zn";
dbo:inchi "InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2";
dbo:iupacName "zinc dimethylaminomethanedithioate"@en;
dbo:pubchem "8722"^^xsd:int;
dbo:smiles "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]";
dbp:inchikey "DUBNHZYBDBBJHD-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0003997;
skos:inScheme vlcs:chemische_stof;
skos:notation "zirm";
skos:prefLabel "ziram"@nl .
csc:AFOVBPMGZPJPKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:66550;
dbo:casNumber "85-07-4";
dbo:formula "C13H13NO";
dbo:inchi "InChI=1S/C13H13NO/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13(14)15/h2-7H,8H2,1H3,(H2,14,15)";
dbo:iupacName "2-(2-methylnaphthalen-1-yl)acetamide"@en;
dbo:pubchem "66550"^^xsd:int;
dbo:smiles "CC1=C(C2=CC=CC=C2C=C1)CC(=O)N";
dbp:inchikey "AFOVBPMGZPJPKX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yntacAd";
skos:prefLabel "methylnaftylaceetamide"@nl .
csc:CSEBNABAWMZWIF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:114481;
dbo:casNumber "26099-32-1" , "13252-13-6";
dbo:formula "C6HF11O3";
dbo:inchi "InChI=1S/C6HF11O3/c7-2(1(18)19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h(H,18,19)";
dbo:iupacName "2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid"@en;
dbo:pubchem "114481"^^xsd:int;
dbo:smiles "C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O";
dbp:inchikey "CSEBNABAWMZWIF-UHFFFAOYSA-N";
skos:altLabel "2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur"@nl , "perfluor-2-propoxypropaanzuur"@nl , "perfluor-2-propoxypropaanzuur (hfpo-da)"@nl;
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "FRD-903" , "HFPO-DA";
skos:prefLabel "2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur"@nl .
csc:AUQAUAIUNJIIEP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:17592;
dbo:casNumber "2686-99-9";
dbo:formula "C11H15NO2";
dbo:inchi "InChI=1S/C11H15NO2/c1-7-5-10(14-11(13)12-4)6-8(2)9(7)3/h5-6H,1-4H3,(H,12,13)";
dbo:iupacName "(3,4,5-trimethylphenyl) N-methylcarbamate"@en;
dbo:pubchem "17592"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1C)C)OC(=O)NC";
dbp:inchikey "AUQAUAIUNJIIEP-UHFFFAOYSA-N";
skos:altLabel "trimethacarb"@nl;
skos:broader csc:CHEMONTID_0004742;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tmtcb";
skos:prefLabel "3,4,5-trimethacarb"@nl .
csc:AMCOFRYQNUYHDX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:61994;
dbo:casNumber "41766-75-0";
dbo:formula "C14H18F2N2";
dbo:inchi "InChI=1S/C14H16N2.2FH/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12;;/h3-8H,15-16H2,1-2H3;2*1H";
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride"@en;
dbo:pubchem "61994"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F";
dbp:inchikey "AMCOFRYQNUYHDX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003956;
skos:inScheme vlcs:chemische_stof;
skos:notation "33DC1ybzdnDH";
skos:prefLabel "3,3'-dimethylbenzidine dihydrofluoride"@nl .
csc:XPKFTIYOZUJAGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:66756;
dbo:casNumber "94-85-9";
dbo:formula "C10H15NO2";
dbo:inchi "InChI=1S/C10H15NO2/c1-3-12-8-5-6-10(13-4-2)9(11)7-8/h5-7H,3-4,11H2,1-2H3";
dbo:iupacName "2,5-Diethoxyaniline"@en;
dbo:pubchem "66756"^^xsd:int;
dbo:smiles "CCOC1=CC(=C(C=C1)OCC)N";
dbp:inchikey "XPKFTIYOZUJAGA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004670;
skos:inScheme vlcs:chemische_stof;
skos:notation "25DC2oxAn";
skos:prefLabel "2,5-diethoxyaniline"@nl .
csc:SBNFWQZLDJGRLK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:4767;
dbo:casNumber "73170-79-3" , "26002-80-2" , "53528-32-8";
dbo:formula "C23H26O3";
dbo:inchi "InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3";
dbo:iupacName "[3-(phenoxy)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en;
dbo:pubchem "4767"^^xsd:int;
dbo:smiles "CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C";
dbp:inchikey "SBNFWQZLDJGRLK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001461;
skos:inScheme vlcs:chemische_stof;
skos:notation "fentn";
skos:prefLabel "fenothrin"@nl .
csc:UTBVIMLZIRIFFR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11989;
dbo:casNumber "31621-01-9" , "64036-43-7" , "615-22-5";
dbo:formula "C8H7NS2";
dbo:inchi "InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3";
dbo:iupacName "2-methylsulfanyl-1,3-benzothiazole"@en;
dbo:pubchem "11989"^^xsd:int;
dbo:smiles "CSC1=NC2=CC=CC=C2S1";
dbp:inchikey "UTBVIMLZIRIFFR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1ytobztazl";
skos:prefLabel "2-methylthiobenzothiazool"@nl .
csc:TVFDJXOCXUVLDH-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6335485;
dbo:casNumber "13967-70-9";
dbo:formula "Cs";
dbo:inchi "InChI=1S/Cs/i1+1";
dbo:iupacName "cesium-134"@en;
dbo:pubchem "6335485"^^xsd:int;
dbo:smiles "[Cs]";
dbp:inchikey "TVFDJXOCXUVLDH-OUBTZVSYSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cs134";
skos:prefLabel "cesium 134"@nl .
csc:ZOLLIQAKMYWTBR-UDIJVJLMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5357179;
dbo:casNumber "2765-29-9" , "4904-61-4";
dbo:formula "C12H18";
dbo:inchi "InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8+";
dbo:iupacName "(1Z,5E,9Z)-cyclododeca-1,5,9-triene"@en;
dbo:pubchem "5357179"^^xsd:int;
dbo:smiles "C1CC=CCCC=CCCC=C1";
dbp:inchikey "ZOLLIQAKMYWTBR-UDIJVJLMSA-N";
skos:broader csc:CHEMONTID_0002840;
skos:inScheme vlcs:chemische_stof;
skos:notation "159ccddcten";
skos:prefLabel "1,5,9-cyclododecatrieen"@nl .
csc:XQEMNBNCQVQXMO-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:39424;
dbo:casNumber "43222-48-6";
dbo:formula "C18H20N2O4S";
dbo:inchi "InChI=1S/C17H17N2.CH4O4S/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15;1-5-6(2,3)4/h3-13H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1";
dbo:iupacName "1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate"@en;
dbo:pubchem "39424"^^xsd:int;
dbo:smiles "CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]";
dbp:inchikey "XQEMNBNCQVQXMO-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "DfzqtC1ySO4";
skos:prefLabel "difenzoquatmethylsulfaat"@nl .
csc:PYZSVQVRHDXQSL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:18771;
dbo:casNumber "3347-22-6" , "95591-89-2" , "11096-35-8";
dbo:formula "C14H4N2O2S2";
dbo:inchi "InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H";
dbo:iupacName "5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile"@en;
dbo:pubchem "18771"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N";
dbp:inchikey "PYZSVQVRHDXQSL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dtann";
skos:prefLabel "dithianon"@nl .
csc:OWBTYPJTUOEWEK-ZXZARUISSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:220010;
dbo:casNumber "513-85-9" , "5341-95-7";
dbo:formula "C4H10O2";
dbo:inchi "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+";
dbo:iupacName "(2R,3S)-butane-2,3-diol"@en;
dbo:pubchem "220010"^^xsd:int;
dbo:smiles "CC(C(C)O)O";
dbp:inchikey "OWBTYPJTUOEWEK-ZXZARUISSA-N";
skos:broader csc:CHEMONTID_0002467;
skos:inScheme vlcs:chemische_stof;
skos:notation "23C4aDol";
skos:prefLabel "dimethylglycol"@nl .
csc:LTEQMZWBSYACLV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:14109;
dbo:casNumber "74296-34-7" , "1320-01-0" , "1077-16-3";
dbo:formula "C12H18";
dbo:inchi "InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3";
dbo:iupacName "Hexylbenzene"@en;
dbo:pubchem "14109"^^xsd:int;
dbo:smiles "CCCCCCC1=CC=CC=C1";
dbp:inchikey "LTEQMZWBSYACLV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "C6yBen";
skos:prefLabel "hexylbenzeen"@nl .
csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6591;
dbo:casNumber "79-34-5";
dbo:formula "C2H2Cl4";
dbo:inchi "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H";
dbo:iupacName "1,1,2,2-Tetrachloroethane"@en;
dbo:pubchem "6591"^^xsd:int;
dbo:smiles "C(C(Cl)Cl)(Cl)Cl";
dbp:inchikey "QPFMBZIOSGYJDE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:exactMatch wise:CAS_79-34-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "1122T4ClC2a";
skos:prefLabel "1,1,2,2-tetrachloorethaan"@nl .
csc:ORMSTDJYMPIZAO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9666;
dbo:casNumber "359-28-4" , "134237-34-6";
dbo:formula "C2H2Cl3F";
dbo:inchi "InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H";
dbo:iupacName "1,1,2-TRICHLORO-2-FLUOROETHANE"@en;
dbo:pubchem "9666"^^xsd:int;
dbo:smiles "C(C(Cl)Cl)(F)Cl";
dbp:inchikey "ORMSTDJYMPIZAO-UHFFFAOYSA-N";
skos:altLabel "1,2,2-trichloorfluorethaan (Fc-131)"@nl;
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCFK131";
skos:prefLabel "1,2,2-trichloorfluorethaan (fc-131)"@nl .
csc:WXZOXVVKILCOPG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8733;
dbo:casNumber "137-89-3";
dbo:formula "C24H38O4";
dbo:inchi "InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3";
dbo:iupacName "bis(2-ethylhexyl) benzene-1,3-dicarboxylate"@en;
dbo:pubchem "8733"^^xsd:int;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC";
dbp:inchikey "WXZOXVVKILCOPG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004010;
skos:inScheme vlcs:chemische_stof;
skos:notation "bis2C2yC6yEs";
skos:prefLabel "bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur"@nl .
csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7255;
dbo:casNumber "95-74-9";
dbo:formula "C7H8ClN";
dbo:inchi "InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3";
dbo:iupacName "3-Chloro-4-methylaniline"@en;
dbo:pubchem "7255"^^xsd:int;
dbo:smiles "CC1=C(C=C(C=C1)N)Cl";
dbp:inchikey "RQKFYFNZSHWXAW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003964;
skos:exactMatch wise:CAS_95-74-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "3Cl4C1yAn";
skos:prefLabel "3-chloor-4-methylaniline"@nl .
csc:PPTYJKAXVCCBDU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3380;
dbo:casNumber "1622-62-4";
dbo:formula "C16H12FN3O3";
dbo:inchi "InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3";
dbo:iupacName "5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "3380"^^xsd:int;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F";
dbp:inchikey "PPTYJKAXVCCBDU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004097;
skos:inScheme vlcs:chemische_stof;
skos:notation "fluntzpm";
skos:prefLabel "flunitrazepam"@nl .
csc:MBGYSHXGENGTBP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:20342;
dbo:casNumber "4337-65-9";
dbo:formula "C14H26O4";
dbo:inchi "InChI=1S/C14H26O4/c1-3-5-8-12(4-2)11-18-14(17)10-7-6-9-13(15)16/h12H,3-11H2,1-2H3,(H,15,16)";
dbo:iupacName "6-(2-ethylhexoxy)-6-oxohexanoic acid"@en;
dbo:pubchem "20342"^^xsd:int;
dbo:smiles "CCCCC(CC)COC(=O)CCCCC(=O)O";
dbp:inchikey "MBGYSHXGENGTBP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "M2C2yC6yC6aD";
skos:prefLabel "mono-(2-ethylhexyl)-hexaandioaat"@nl .
csc:GUYMMHOQXYZMJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7603;
dbo:casNumber "102-27-2";
dbo:formula "C9H13N";
dbo:inchi "InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3";
dbo:iupacName "N-Ethyl-3-methylaniline"@en;
dbo:pubchem "7603"^^xsd:int;
dbo:smiles "CCNC1=CC=CC(=C1)C";
dbp:inchikey "GUYMMHOQXYZMJQ-UHFFFAOYSA-N";
skos:altLabel "n-ethyl-3-methylaniline"@nl;
skos:broader csc:CHEMONTID_0003964;
skos:inScheme vlcs:chemische_stof;
skos:notation "NC2y3C1yAn";
skos:prefLabel "N-ethyl-3-methylaniline"@nl .
csc:FPYJFEHAWHCUMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7923;
dbo:casNumber "184288-31-1" , "224641-16-1" , "24937-72-2" , "108-31-6" , "224641-13-8" , "224641-15-0";
dbo:formula "C4H2O3";
dbo:inchi "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H";
dbo:iupacName "furan-2,5-dione"@en;
dbo:pubchem "7923"^^xsd:int;
dbo:smiles "C1=CC(=O)OC1=O";
dbp:inchikey "FPYJFEHAWHCUMM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002223;
skos:inScheme vlcs:chemische_stof;
skos:notation "25furDon";
skos:prefLabel "2,5-furaandion"@nl .
csc:KYWIYKKSMDLRDC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8163;
dbo:casNumber "112-12-9";
dbo:formula "C11H22O";
dbo:inchi "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3";
dbo:iupacName "Undecan-2-one"@en;
dbo:pubchem "8163"^^xsd:int;
dbo:smiles "CCCCCCCCCC(=O)C";
dbp:inchikey "KYWIYKKSMDLRDC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C11on";
skos:prefLabel "2-undecanon"@nl .
csc:HPNMFZURTQLUMO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:8021;
dbo:casNumber "109-89-7";
dbo:formula "C4H11N";
dbo:inchi "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3";
dbo:iupacName "N-ethylethanamine"@en;
dbo:pubchem "8021"^^xsd:int;
dbo:smiles "CCNCC";
dbp:inchikey "HPNMFZURTQLUMO-UHFFFAOYSA-N";
skos:altLabel "di-ethylamine "@nl , "di-ethylamine"@nl;
skos:broader csc:CHEMONTID_0002228;
skos:exactMatch wise:CAS_109-89-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2yAe";
skos:prefLabel "diethylamine"@nl .
csc:WXFWXFIWDGJRSC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:78974;
dbo:casNumber "332-77-4";
dbo:formula "C6H10O3";
dbo:inchi "InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3";
dbo:iupacName "2,5-DIMETHOXY-2,5-DIHYDROFURAN"@en;
dbo:pubchem "78974"^^xsd:int;
dbo:smiles "COC1C=CC(O1)OC";
dbp:inchikey "WXFWXFIWDGJRSC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001983;
skos:inScheme vlcs:chemische_stof;
skos:notation "25DHOx25DC1o";
skos:prefLabel "2,5-dihydro-2,5-dimethoxyfuran"@nl .
csc:BXAONUZFBUNTQR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:11933;
dbo:casNumber "612-83-9";
dbo:formula "C12H12Cl4N2";
dbo:inchi "InChI=1S/C12H10Cl2N2.2ClH/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8;;/h1-6H,15-16H2;2*1H";
dbo:iupacName "4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride"@en;
dbo:pubchem "11933"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl";
dbp:inchikey "BXAONUZFBUNTQR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003956;
skos:inScheme vlcs:chemische_stof;
skos:notation "33DClbzdnDHC";
skos:prefLabel "3,3'-dichloorbenzidine dihydrochloride"@nl .
csc:WXWCDTXEKCVRRO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8445;
dbo:casNumber "120-71-8";
dbo:formula "C8H11NO";
dbo:inchi "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3";
dbo:iupacName "2-Methoxy-5-methylaniline"@en;
dbo:pubchem "8445"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)OC)N";
dbp:inchikey "WXWCDTXEKCVRRO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004670;
skos:inScheme vlcs:chemische_stof;
skos:notation "5C1yoansdne";
skos:prefLabel "5-methyl-o-anisidine"@nl .
csc:YIEDHPBKGZGLIK-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:41478;
dbo:casNumber "55566-30-8" , "58591-11-0" , "65257-04-7";
dbo:formula "C8H24O12P2S";
dbo:inchi "InChI=1S/2C4H12O4P.H2O4S/c2*5-1-9(2-6,3-7)4-8;1-5(2,3)4/h2*5-8H,1-4H2;(H2,1,2,3,4)/q2*+1;/p-2";
dbo:iupacName "tetrakis(hydroxymethyl)phosphanium sulfate"@en;
dbo:pubchem "41478"^^xsd:int;
dbo:smiles "C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]";
dbp:inchikey "YIEDHPBKGZGLIK-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001180;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4kHOC1yPSO4";
skos:prefLabel "tetrakis(hydroxymethyl)fosfoniumsulfaat"@nl .
csc:BVGDXTYHVRFEQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:107953;
dbo:casNumber "77102-82-0";
dbo:formula "C12H6Br4";
dbo:inchi "InChI=1S/C12H6Br4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H";
dbo:iupacName "1,2-dibromo-4-(3,4-dibromophenyl)benzene"@en;
dbo:pubchem "107953"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br";
dbp:inchikey "BVGDXTYHVRFEQZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003954;
skos:inScheme vlcs:chemische_stof;
skos:notation "PBDE77";
skos:prefLabel "3,3',4,4'-tetrabroomdifenylether"@nl .
csc:RIQIBKLXYRWFEJ-BRBBMYSQSA-J
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:9570455;
dbo:casNumber "190258-21-0" , "28407-37-6" , "23909-66-2" , "72882-28-1" , "10401-50-0" , "27569-07-9";
dbo:formula "C32H20Cu2N6Na4O16S4";
dbo:inchi "InChI=1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,35-36,39-40H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;;;4*+1/p-4/b37-29-,38-30-;;;;;;";
dbo:iupacName "tetrasodium; (3E)-5-amino-3-[[4-[4-[(2E)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-hydroxyphenyl]-2-hydroxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate; copper"@en;
dbo:pubchem "9570455"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])O)O)NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu].[Cu]";
dbp:inchikey "RIQIBKLXYRWFEJ-BRBBMYSQSA-J";
skos:altLabel "c.i. direct blue 218"@nl;
skos:broader csc:CHEMONTID_0000041;
skos:inScheme vlcs:chemische_stof;
skos:notation "cidbe218";
skos:prefLabel "C.I. Direct Blue 218"@nl .
csc:MOQGCGNUWBPGTQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:9895;
dbo:casNumber "432-25-7" , "52844-21-0";
dbo:formula "C10H16O";
dbo:inchi "InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3";
dbo:iupacName "2,6,6-Trimethylcyclohexene-1-carbaldehyde"@en;
dbo:pubchem "9895"^^xsd:int;
dbo:smiles "CC1=C(C(CCC1)(C)C)C=O";
dbp:inchikey "MOQGCGNUWBPGTQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003940;
skos:inScheme vlcs:chemische_stof;
skos:notation "226TC1y1ccC6";
skos:prefLabel "2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde"@nl .
csc:JNTHRSHGARDABO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:9119;
dbo:casNumber "191-30-0";
dbo:formula "C24H14";
dbo:inchi "InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H";
dbo:iupacName "hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaene"@en;
dbo:pubchem "9119"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4";
dbp:inchikey "JNTHRSHGARDABO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000316;
skos:exactMatch wise:CAS_191-30-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "DBaiP";
skos:prefLabel "dibenzo(a,i)pyreen"@nl .
csc:KLDXJTOLSGUMSJ-JGWLITMVSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:12597;
dbo:casNumber "49871-92-3" , "42750-75-4" , "50974-60-2" , "652-67-5" , "151380-60-8" , "152881-21-5";
dbo:formula "C6H10O4";
dbo:inchi "InChI=1S/C6H10O4/c7-3-1-9-6-4(8)2-10-5(3)6/h3-8H,1-2H2/t3-,4+,5-,6-/m1/s1";
dbo:iupacName "(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol"@en;
dbo:pubchem "12597"^^xsd:int;
dbo:smiles "C1C(C2C(O1)C(CO2)O)O";
dbp:inchikey "KLDXJTOLSGUMSJ-JGWLITMVSA-N";
skos:broader csc:CHEMONTID_0001987;
skos:inScheme vlcs:chemische_stof;
skos:notation "issbde";
skos:prefLabel "isosorbide"@nl .
csc:HZRSNVGNWUDEFX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6422843;
dbo:casNumber "175013-18-0";
dbo:formula "C19H18ClN3O4";
dbo:inchi "InChI=1S/C19H18ClN3O4/c1-25-19(24)23(26-2)17-6-4-3-5-14(17)13-27-18-11-12-22(21-18)16-9-7-15(20)8-10-16/h3-12H,13H2,1-2H3";
dbo:iupacName "methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate"@en;
dbo:pubchem "6422843"^^xsd:int;
dbo:smiles "COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC";
dbp:inchikey "HZRSNVGNWUDEFX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrcsbn";
skos:prefLabel "pyraclostrobin"@nl .
csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:31285;
dbo:casNumber "68526-55-6" , "124-11-8" , "68855-57-2";
dbo:formula "C9H18";
dbo:inchi "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3";
dbo:iupacName "non-1-ene"@en;
dbo:pubchem "31285"^^xsd:int;
dbo:smiles "CCCCCCCC=C";
dbp:inchikey "JRZJOMJEPLMPRA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004476;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C9e";
skos:prefLabel "1-noneen"@nl .
csc:LTCDLGUFORGHGY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:92294;
dbo:casNumber "34084-50-9";
dbo:formula "C16H14FN3O";
dbo:inchi "InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3";
dbo:iupacName "7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "92294"^^xsd:int;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F";
dbp:inchikey "LTCDLGUFORGHGY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004097;
skos:inScheme vlcs:chemische_stof;
skos:notation "7Aofntzpm";
skos:prefLabel "7-aminoflunitrazepam"@nl .
csc:HWSSEYVMGDIFMH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7979;
dbo:casNumber "109-16-0" , "37291-80-8" , "184845-37-2" , "120415-48-7" , "107869-00-1" , "113723-03-8" , "102770-39-8" , "202134-79-0" , "64641-52-7" , "52325-89-0" , "72145-92-7" , "121150-61-6" , "212247-03-5" , "143083-95-8" , "121484-13-7" , "76611-53-5" , "116117-65-8" , "77302-65-9";
dbo:formula "C14H22O6";
dbo:inchi "InChI=1S/C14H22O6/c1-11(2)13(15)19-9-7-17-5-6-18-8-10-20-14(16)12(3)4/h1,3,5-10H2,2,4H3";
dbo:iupacName "2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate"@en;
dbo:pubchem "7979"^^xsd:int;
dbo:smiles "CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C";
dbp:inchikey "HWSSEYVMGDIFMH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000346;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC2yegclDmtc";
skos:prefLabel "triethyleenglycol dimethacrylaat"@nl .
csc:ZJMLMBICUVVJDX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:14993;
dbo:casNumber "1420-06-0";
dbo:formula "C23H23NO";
dbo:inchi "InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2";
dbo:iupacName "4-[tri(phenyl)methyl]morpholine"@en;
dbo:pubchem "14993"^^xsd:int;
dbo:smiles "C1COCCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4";
dbp:inchikey "ZJMLMBICUVVJDX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004524;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tfmf";
skos:prefLabel "trifenmorf"@nl .
csc:VOXZDWNPVJITMN-SFFUCWETSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:68570;
dbo:casNumber "57-91-0";
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,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol"@en;
dbo:pubchem "68570"^^xsd:int;
dbo:smiles "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O";
dbp:inchikey "VOXZDWNPVJITMN-SFFUCWETSA-N";
skos:altLabel "17-alfa-estradiol"@nl;
skos:broader csc:CHEMONTID_0003570;
skos:inScheme vlcs:chemische_stof;
skos:notation "17aestDol";
skos:prefLabel "17alpha-estradiol"@nl .
csc:KGSQRFPDZCBVBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:123478;
dbo:casNumber "38939-88-7";
dbo:formula "C7H6ClNO2";
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3";
dbo:iupacName "2-chloro-4-methyl-1-nitrobenzene"@en;
dbo:pubchem "123478"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)[N+](=O)[O-])Cl";
dbp:inchikey "KGSQRFPDZCBVBS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "3Cl4NO2Tol";
skos:prefLabel "3-chloor-4-nitrotolueen"@nl .
csc:RRRXPPIDPYTNJG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:69785;
dbo:casNumber "754-91-6";
dbo:formula "C8H2F17NO2S";
dbo:inchi "InChI=1S/C8H2F17NO2S/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(H2,26,27,28)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide"@en;
dbo:pubchem "69785"^^xsd:int;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "RRRXPPIDPYTNJG-UHFFFAOYSA-N";
skos:altLabel "perfluor-n-octaansulfonamide"@nl , "perfluoroctaansulfonamide (pfosa)"@nl;
skos:broader csc:CHEMONTID_0003960;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFOSA";
skos:prefLabel "perfluoroctaansulfonamide"@nl .
csc:TVMXDCGIABBOFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl;
rdfs:seeAlso compound:356;
dbo:casNumber "31372-91-5" , "50985-84-7" , "111-65-9";
dbo:formula "C8H18";
dbo:inchi "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3";
dbo:iupacName "octane"@en;
dbo:pubchem "356"^^xsd:int;
dbo:smiles "CCCCCCCC";
dbp:inchikey "TVMXDCGIABBOFY-UHFFFAOYSA-N";
skos:altLabel "n-octaan"@nl;
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C8a";
skos:prefLabel "octaan"@nl .
csc:GUUHFMWKWLOQMM-NTCAYCPXSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1550884;
dbo:casNumber "101-86-0";
dbo:formula "C15H20O";
dbo:inchi "InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+";
dbo:iupacName "['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal']"@en;
dbo:pubchem "1550884"^^xsd:int;
dbo:smiles "CCCCCCC(=CC1=CC=CC=C1)C=O";
dbp:inchikey "GUUHFMWKWLOQMM-NTCAYCPXSA-N";
skos:broader csc:CHEMONTID_0000029;
skos:inScheme vlcs:chemische_stof;
skos:notation "aC6ycinnAh";
skos:prefLabel "alfa-hexylcinnamaldehyde"@nl .
csc:JXTHEWSKYLZVJC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8594;
dbo:casNumber "132-66-1";
dbo:formula "C18H13NO3";
dbo:inchi "InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)";
dbo:iupacName "2-(naphthalen-1-ylcarbamoyl)benzoic acid"@en;
dbo:pubchem "8594"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O";
dbp:inchikey "JXTHEWSKYLZVJC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "naptlm";
skos:prefLabel "naptalam"@nl .
csc:MGLWZSOBALDPEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:13905;
dbo:casNumber "1014-70-6";
dbo:formula "C8H15N5S";
dbo:inchi "InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)";
dbo:iupacName "N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "13905"^^xsd:int;
dbo:smiles "CCNC1=NC(=NC(=N1)SC)NCC";
dbp:inchikey "MGLWZSOBALDPEK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004735;
skos:inScheme vlcs:chemische_stof;
skos:notation "simtn";
skos:prefLabel "simetryn"@nl .
csc:BEMXOWRVWRNPPL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:77323;
dbo:casNumber "3735-33-9";
dbo:formula "C11H12NO5PS";
dbo:inchi "InChI=1S/C11H12NO5PS/c1-16-18(15,17-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3";
dbo:iupacName "2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione"@en;
dbo:pubchem "77323"^^xsd:int;
dbo:smiles "COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O";
dbp:inchikey "BEMXOWRVWRNPPL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004749;
skos:inScheme vlcs:chemische_stof;
skos:notation "fosmOon";
skos:prefLabel "fosmet-oxon"@nl .
csc:RLLPVAHGXHCWKJ-MJGOQNOKSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:43859;
dbo:casNumber "61949-77-7";
dbo:formula "C21H20Cl2O3";
dbo:inchi "InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1";
dbo:iupacName "[3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en;
dbo:pubchem "43859"^^xsd:int;
dbo:smiles "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C";
dbp:inchikey "RLLPVAHGXHCWKJ-MJGOQNOKSA-N";
skos:altLabel "trans-permethrin"@nl;
skos:broader csc:CHEMONTID_0001461;
skos:inScheme vlcs:chemische_stof;
skos:notation "tpermtn";
skos:prefLabel "trans-permetryn"@nl .
csc:VNFPBHJOKIVQEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2812;
dbo:casNumber "23593-75-1" , "117829-71-7";
dbo:formula "C22H17ClN2";
dbo:inchi "InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H";
dbo:iupacName "1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole"@en;
dbo:pubchem "2812"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4";
dbp:inchikey "VNFPBHJOKIVQEB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004524;
skos:inScheme vlcs:chemische_stof;
skos:notation "clotmzl";
skos:prefLabel "clotrimazol"@nl .
csc:MUDSDYNRBDKLGK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10285;
dbo:casNumber "491-35-0";
dbo:formula "C10H9N";
dbo:inchi "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3";
dbo:iupacName "4-Methylquinoline"@en;
dbo:pubchem "10285"^^xsd:int;
dbo:smiles "CC1=CC=NC2=CC=CC=C12";
dbp:inchikey "MUDSDYNRBDKLGK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001253;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1yqnlne";
skos:prefLabel "4-methylquinoline"@nl .
csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:943;
dbo:casNumber "84145-82-4" , "14797-55-8";
dbo:formula "NO3-";
dbo:inchi "InChI=1S/NO3/c2-1(3)4/q-1";
dbo:iupacName "['NITRATE', 'azonic acid']"@en;
dbo:pubchem "943"^^xsd:int;
dbo:smiles "[N+](=O)([O-])[O-]";
dbp:inchikey "NHNBFGGVMKEFGY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001062;
skos:exactMatch wise:CAS_14797-55-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "NO3";
skos:prefLabel "nitraat"@nl .
csc:PLHJDBGFXBMTGZ-WEVVVXLNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5323714;
dbo:casNumber "67-45-8" , "8023-25-4" , "8027-73-4";
dbo:formula "C8H7N3O5";
dbo:inchi "InChI=1S/C8H7N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-2,5H,3-4H2/b9-5+";
dbo:iupacName "3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one"@en;
dbo:pubchem "5323714"^^xsd:int;
dbo:smiles "C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]";
dbp:inchikey "PLHJDBGFXBMTGZ-WEVVVXLNSA-N";
skos:broader csc:CHEMONTID_0000194;
skos:inScheme vlcs:chemische_stof;
skos:notation "furzldn";
skos:prefLabel "furazolidon"@nl .
csc:NUIURNJTPRWVAP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8413;
dbo:casNumber "119-93-7";
dbo:formula "C14H16N2";
dbo:inchi "InChI=1S/C14H16N2/c1-9-7-11(3-5-13(9)15)12-4-6-14(16)10(2)8-12/h3-8H,15-16H2,1-2H3";
dbo:iupacName "4-(4-amino-3-methylphenyl)-2-methylaniline"@en;
dbo:pubchem "8413"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N";
dbp:inchikey "NUIURNJTPRWVAP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003956;
skos:inScheme vlcs:chemische_stof;
skos:notation "33DC1ybzdne";
skos:prefLabel "3,3'-dimethylbenzidine"@nl .
csc:QCCDLTOVEPVEJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7678;
dbo:casNumber "136675-26-8" , "103-79-7";
dbo:formula "C9H10O";
dbo:inchi "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3";
dbo:iupacName "1-phenylpropan-2-one"@en;
dbo:pubchem "7678"^^xsd:int;
dbo:smiles "CC(=O)CC1=CC=CC=C1";
dbp:inchikey "QCCDLTOVEPVEJK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fyactn";
skos:prefLabel "fenylaceton"@nl .
csc:CXRFDZFCGOPDTD-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:14250;
dbo:casNumber "10182-92-0" , "1119-97-7" , "114568-24-0" , "8044-71-1";
dbo:formula "C17H38BrN";
dbo:inchi "InChI=1S/C17H38N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "trimethyl-tetradecylazanium bromide"@en;
dbo:pubchem "14250"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]";
dbp:inchikey "CXRFDZFCGOPDTD-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "C14yTC1yNH4B";
skos:prefLabel "tetradecyltrimethylammonium bromide"@nl .
csc:KJTLSVCANCCWHF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:23950;
dbo:casNumber "7440-18-8" , "100041-48-3" , "57572-01-7";
dbo:formula "Ru";
dbo:inchi "InChI=1S/Ru";
dbo:iupacName "RUTHENIUM"@en;
dbo:pubchem "23950"^^xsd:int;
dbo:smiles "[Ru]";
dbp:inchikey "KJTLSVCANCCWHF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ru";
skos:prefLabel "ruthenium"@nl .
csc:KWGUFOITWDSNQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:20965;
dbo:casNumber "4824-78-6";
dbo:formula "C10H12BrCl2O3PS";
dbo:inchi "InChI=1S/C10H12BrCl2O3PS/c1-3-14-17(18,15-4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3";
dbo:iupacName "(4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "20965"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl";
dbp:inchikey "KWGUFOITWDSNQY-UHFFFAOYSA-N";
skos:altLabel "bromophos-ethyl"@nl , "bromofos-ethyl"@nl;
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yBrfs";
skos:prefLabel "ethylbromofos"@nl .
csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR III (D3, diverse art)"@nl , "VLAR II bijl. 2.5.8.1.'B(a)P'"@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR II (D2) 'benzo(a)pyreen'"@nl;
rdfs:seeAlso compound:2336;
dbo:casNumber "34505-58-3" , "6699-27-0" , "819804-28-9" , "50-32-8" , "42299-33-2";
dbo:formula "C20H12";
dbo:inchi "InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H";
dbo:iupacName "Benzo[a]pyrene"@en;
dbo:pubchem "2336"^^xsd:int;
dbo:smiles "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3";
dbp:inchikey "FMMWHPNWAFZXNH-UHFFFAOYSA-N";
skos:altLabel "benzo(a)pyreen"@nl;
skos:broader csc:CHEMONTID_0000316;
skos:exactMatch wise:CAS_50-32-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "BaP";
skos:prefLabel "benzo(a)pyreen (b)"@nl .
csc:GTCAXTIRRLKXRU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:11722;
dbo:casNumber "598-55-0";
dbo:formula "C2H5NO2";
dbo:inchi "InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)";
dbo:iupacName "Methyl carbamate"@en;
dbo:pubchem "11722"^^xsd:int;
dbo:smiles "COC(=O)N";
dbp:inchikey "GTCAXTIRRLKXRU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004787;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1ycbmt";
skos:prefLabel "methylcarbamaat"@nl .
csc:JEWUXLHWYRSHJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:62315;
dbo:casNumber "128903-21-9";
dbo:formula "C3HCl2F5";
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H";
dbo:iupacName "2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE"@en;
dbo:pubchem "62315"^^xsd:int;
dbo:smiles "C(C(C(F)(F)F)(Cl)Cl)(F)F";
dbp:inchikey "JEWUXLHWYRSHJK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCFK225aa";
skos:prefLabel "2,2-dichloor-1,1,1,3,3-pentafluorpropaan"@nl .
csc:SDUQYLNIPVEERB-QPPQHZFASA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:60750;
dbo:casNumber "95058-81-4";
dbo:formula "C9H11F2N3O4";
dbo:inchi "InChI=1S/C9H11F2N3O4/c10-9(11)6(16)4(3-15)18-7(9)14-2-1-5(12)13-8(14)17/h1-2,4,6-7,15-16H,3H2,(H2,12,13,17)/t4-,6-,7-/m1/s1";
dbo:iupacName "4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one"@en;
dbo:pubchem "60750"^^xsd:int;
dbo:smiles "C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F";
dbp:inchikey "SDUQYLNIPVEERB-QPPQHZFASA-N";
skos:broader csc:CHEMONTID_0002180;
skos:inScheme vlcs:chemische_stof;
skos:notation "gemctbne";
skos:prefLabel "gemcitabine"@nl .
csc:HGLDOAKPQXAFKI-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:167416;
dbo:casNumber "15765-19-2";
dbo:formula "Cf";
dbo:inchi "InChI=1S/Cf/i1+0";
dbo:iupacName "californium-251"@en;
dbo:pubchem "167416"^^xsd:int;
dbo:smiles "[Cf]";
dbp:inchikey "HGLDOAKPQXAFKI-IGMARMGPSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cf251";
skos:prefLabel "californium 251"@nl .
csc:QCDQDISRALTLNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:78441;
dbo:casNumber "4710-17-2";
dbo:formula "C8H12N2O2S";
dbo:inchi "InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)9-8-6-4-3-5-7-8/h3-7,9H,1-2H3";
dbo:iupacName "(dimethylsulfamoylamino)benzene"@en;
dbo:pubchem "78441"^^xsd:int;
dbo:smiles "CN(C)S(=O)(=O)NC1=CC=CC=C1";
dbp:inchikey "QCDQDISRALTLNQ-UHFFFAOYSA-N";
skos:altLabel "n,n-dimethyl-n'-fenylsulfamide"@nl;
skos:broader csc:CHEMONTID_0000038;
skos:inScheme vlcs:chemische_stof;
skos:notation "NNDC1yNFysAd";
skos:prefLabel "N,N-dimethyl-N'-fenylsulfamide"@nl .
csc:XKVUYEYANWFIJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:15073;
dbo:casNumber "88054-14-2" , "1453-58-3";
dbo:formula "C4H6N2";
dbo:inchi "InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)";
dbo:iupacName "3-methyl-2H-pyrazole"@en;
dbo:pubchem "15073"^^xsd:int;
dbo:smiles "CC1=CC=NN1";
dbp:inchikey "XKVUYEYANWFIJX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000087;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C1yprzl";
skos:prefLabel "3-methylpyrazol"@nl .
csc:KJRCEJOSASVSRA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6364;
dbo:casNumber "75-33-2";
dbo:formula "C3H8S";
dbo:inchi "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3";
dbo:iupacName "Propane-2-thiol"@en;
dbo:pubchem "6364"^^xsd:int;
dbo:smiles "CC(C)S";
dbp:inchikey "KJRCEJOSASVSRA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001212;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C3atol";
skos:prefLabel "2-propaanthiol"@nl .
csc:STUSTWKEFDQFFZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:22544;
dbo:casNumber "6164-98-3";
dbo:formula "C10H13ClN2";
dbo:inchi "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3";
dbo:iupacName "N'-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide"@en;
dbo:pubchem "22544"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)Cl)N=CN(C)C";
dbp:inchikey "STUSTWKEFDQFFZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClDmfm";
skos:prefLabel "chloordimeform"@nl .
csc:MUMQYXACQUZOFP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:25146;
dbo:casNumber "10311-84-9";
dbo:formula "C14H17ClNO4PS2";
dbo:inchi "InChI=1S/C14H17ClNO4PS2/c1-3-19-21(22,20-4-2)23-12(9-15)16-13(17)10-7-5-6-8-11(10)14(16)18/h5-8,12H,3-4,9H2,1-2H3";
dbo:iupacName "2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione"@en;
dbo:pubchem "25146"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O";
dbp:inchikey "MUMQYXACQUZOFP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004749;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dalfs";
skos:prefLabel "dialifos"@nl .
csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:16183;
dbo:casNumber "2008-58-4" , "70852-53-8";
dbo:formula "C7H5Cl2NO";
dbo:inchi "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)";
dbo:iupacName "2,6-Dichlorobenzamide"@en;
dbo:pubchem "16183"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl";
dbp:inchikey "JHSPCUHPSIUQRB-UHFFFAOYSA-N";
skos:altLabel "2,6-dichlorobenzamide (bam)"@nl;
skos:broader csc:CHEMONTID_0003098;
skos:exactMatch wise:CAS_2008-58-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DClBenAd";
skos:prefLabel "2,6-dichloorbenzamide"@nl .
csc:VYZCFAPUHSSYCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6936;
dbo:casNumber "88-53-9";
dbo:formula "C7H8ClNO3S";
dbo:inchi "InChI=1S/C7H8ClNO3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,9H2,1H3,(H,10,11,12)";
dbo:iupacName "2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID"@en;
dbo:pubchem "6936"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N";
dbp:inchikey "VYZCFAPUHSSYCC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003278;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Ao5Cl4C1yBe";
skos:prefLabel "2-amino-5-chloor-4-methylbenzeensulfonzuur"@nl .
csc:RHLVCLIPMVJYKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:246728;
dbo:casNumber "106-68-3";
dbo:formula "C8H16O";
dbo:inchi "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3";
dbo:iupacName "Octan-3-one"@en;
dbo:pubchem "246728"^^xsd:int;
dbo:smiles "CCCCCC(=O)CC";
dbp:inchikey "RHLVCLIPMVJYKS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yamktn";
skos:prefLabel "ethylamylketon"@nl .
csc:LPXPTNMVRIOKMN-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:24269;
dbo:casNumber "56227-20-4" , "82497-43-6" , "82998-40-1" , "32863-15-3" , "7632-00-0";
dbo:formula "NNaO2";
dbo:inchi "InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1";
dbo:iupacName "SODIUM NITRITE"@en;
dbo:pubchem "24269"^^xsd:int;
dbo:smiles "N(=O)[O-].[Na+]";
dbp:inchikey "LPXPTNMVRIOKMN-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000644;
skos:inScheme vlcs:chemische_stof;
skos:notation "NNaO2";
skos:prefLabel "natriumnitriet"@nl .
csc:DJHGAFSJWGLOIV-UHFFFAOYSA-K
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:27401;
dbo:casNumber "11126-32-2" , "15584-04-0" , "25537-06-8";
dbo:formula "AsO4-3";
dbo:inchi "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3";
dbo:iupacName "arsorate"@en;
dbo:pubchem "27401"^^xsd:int;
dbo:smiles "[O-][As](=O)([O-])[O-]";
dbp:inchikey "DJHGAFSJWGLOIV-UHFFFAOYSA-K";
skos:broader csc:CHEMONTID_0001474;
skos:inScheme vlcs:chemische_stof;
skos:notation "AsO4";
skos:prefLabel "arsenaat"@nl .
csc:LCGTWRLJTMHIQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:9212;
dbo:casNumber "256-96-2";
dbo:formula "C14H11N";
dbo:inchi "InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H";
dbo:iupacName "11H-benzo[b][1]benzazepine"@en;
dbo:pubchem "9212"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2";
dbp:inchikey "LCGTWRLJTMHIQZ-UHFFFAOYSA-N";
skos:altLabel "5H-dibenz[b,f]azepine"@nl;
skos:broader csc:CHEMONTID_0000320;
skos:inScheme vlcs:chemische_stof;
skos:notation "5HDbenzbfazp";
skos:prefLabel "5h-dibenz[b,f]azepine"@nl .
csc:IMSSROKUHAOUJS-MJCUULBUSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6291;
dbo:casNumber "53445-46-8" , "72-33-3" , "43085-54-7";
dbo:formula "C21H26O2";
dbo:inchi "InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m1/s1";
dbo:iupacName "(8R,9S,13S,14S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol"@en;
dbo:pubchem "6291"^^xsd:int;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC";
dbp:inchikey "IMSSROKUHAOUJS-MJCUULBUSA-N";
skos:broader csc:CHEMONTID_0001466;
skos:inScheme vlcs:chemische_stof;
skos:notation "mesnl";
skos:prefLabel "mestranol"@nl .
csc:BHAAPTBBJKJZER-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7732;
dbo:casNumber "104-94-9";
dbo:formula "C7H9NO";
dbo:inchi "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3";
dbo:iupacName "4-Methoxyaniline"@en;
dbo:pubchem "7732"^^xsd:int;
dbo:smiles "COC1=CC=C(C=C1)N";
dbp:inchikey "BHAAPTBBJKJZER-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004670;
skos:inScheme vlcs:chemische_stof;
skos:notation "pansdne";
skos:prefLabel "p-anisidine"@nl .
csc:DTGKSKDOIYIVQL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:64685;
dbo:casNumber "507-70-0" , "10385-78-1";
dbo:formula "C10H18O";
dbo:inchi "InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3";
dbo:iupacName "1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol"@en;
dbo:pubchem "64685"^^xsd:int;
dbo:smiles "CC1(C2CCC1(C(C2)O)C)C";
dbp:inchikey "DTGKSKDOIYIVQL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001564;
skos:inScheme vlcs:chemische_stof;
skos:notation "bornol";
skos:prefLabel "borneol"@nl .
csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:12560;
dbo:casNumber "114-07-8" , "82343-12-2";
dbo:formula "C37H67NO13";
dbo:inchi "InChI=1S/C37H67NO13/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1";
dbo:iupacName "(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecane-2,10-dione"@en;
dbo:pubchem "12560"^^xsd:int;
dbo:smiles "CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O";
dbp:inchikey "ULGZDMOVFRHVEP-RWJQBGPGSA-N";
skos:broader csc:CHEMONTID_0000282;
skos:exactMatch wise:CAS_114-07-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "ertmcne";
skos:prefLabel "erytromycine"@nl .
csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8489;
dbo:casNumber "121-73-3";
dbo:formula "C6H4ClNO2";
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H";
dbo:iupacName "1-Chloro-3-nitrobenzene"@en;
dbo:pubchem "8489"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)Cl)[N+](=O)[O-]";
dbp:inchikey "KMAQZIILEGKYQZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:exactMatch wise:CAS_121-73-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "1Cl3NO2Ben";
skos:prefLabel "1-chloor-3-nitrobenzeen"@nl .
csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2707;
dbo:casNumber "109128-19-0" , "302-17-0";
dbo:formula "C2H3Cl3O2";
dbo:inchi "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H";
dbo:iupacName "2,2,2-Trichloroethane-1,1-diol"@en;
dbo:pubchem "2707"^^xsd:int;
dbo:smiles "C(C(Cl)(Cl)Cl)(O)O";
dbp:inchikey "RNFNDJAIBTYOQL-UHFFFAOYSA-N";
skos:altLabel "trichlooracetaldehyde-hydraat"@nl , "trichlooracetal-dehyde-hydraat"@nl;
skos:broader csc:CHEMONTID_0002608;
skos:exactMatch wise:CAS_302-17-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clahdt";
skos:prefLabel "chloralhydraat"@nl .
csc:RKELNIPLHQEBJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:591200;
dbo:casNumber "41451-28-9" , "151852-28-7" , "71888-89-6";
dbo:formula "C22H34O4";
dbo:inchi "InChI=1S/C22H34O4/c1-17(2)11-7-9-15-25-21(23)19-13-5-6-14-20(19)22(24)26-16-10-8-12-18(3)4/h5-6,13-14,17-18H,7-12,15-16H2,1-4H3";
dbo:iupacName "bis(5-methylhexyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "591200"^^xsd:int;
dbo:smiles "CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C";
dbp:inchikey "RKELNIPLHQEBJO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "di-isoheptylftalaat (mix van isomeren)"@nl .
csc:SJWFXCIHNDVPSH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:20083;
dbo:casNumber "25339-16-6" , "123-96-6" , "6169-06-8" , "113301-48-7" , "113244-40-9" , "4128-31-8";
dbo:formula "C8H18O";
dbo:inchi "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3";
dbo:iupacName "octan-2-ol"@en;
dbo:pubchem "20083"^^xsd:int;
dbo:smiles "CCCCCCC(C)O";
dbp:inchikey "SJWFXCIHNDVPSH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001334;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C8ol";
skos:prefLabel "2-octanol"@nl .
csc:XTFIVUDBNACUBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8490;
dbo:casNumber "204655-61-8" , "50579-23-2" , "121-82-4" , "57608-45-4" , "53800-53-6" , "82030-42-0";
dbo:formula "C3H6N6O6";
dbo:inchi "InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2";
dbo:iupacName "1,3,5-trinitro-1,3,5-triazinane"@en;
dbo:pubchem "8490"^^xsd:int;
dbo:smiles "C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "XTFIVUDBNACUBN-UHFFFAOYSA-N";
skos:altLabel "hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)"@nl;
skos:broader csc:CHEMONTID_0002798;
skos:inScheme vlcs:chemische_stof;
skos:notation "RDX";
skos:prefLabel "hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)"@nl .
csc:NTBYINQTYWZXLH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7443;
dbo:casNumber "99-54-7";
dbo:formula "C6H3Cl2NO2";
dbo:inchi "InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H";
dbo:iupacName "1,2-Dichloro-4-nitrobenzene"@en;
dbo:pubchem "7443"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl";
dbp:inchikey "NTBYINQTYWZXLH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:exactMatch wise:CAS_99-54-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "34DClNO2Ben";
skos:prefLabel "3,4-dichloornitrobenzeen"@nl .
csc:QGZKDVFQNNGYKY-UHFFFAOYSA-O
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:223;
dbo:casNumber "14798-03-9" , "6684-80-6" , "14158-23-7";
dbo:formula "H4N+";
dbo:inchi "InChI=1S/H3N/h1H3/p+1";
dbo:iupacName "['azanium', 'nitrogen(+1) dihydride cation']"@en;
dbo:pubchem "223"^^xsd:int;
dbo:smiles "[NH4+]";
dbp:inchikey "QGZKDVFQNNGYKY-UHFFFAOYSA-O";
skos:broader csc:CHEMONTID_0000434;
skos:exactMatch wise:CAS_14798-03-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "NH4";
skos:prefLabel "ammonium"@nl .
csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:15530;
dbo:casNumber "1689-83-4";
dbo:formula "C7H3I2NO";
dbo:inchi "InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H";
dbo:iupacName "4-Hydroxy-3,5-diiodobenzonitrile"@en;
dbo:pubchem "15530"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1I)O)I)C#N";
dbp:inchikey "NRXQIUSYPAHGNM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001530;
skos:exactMatch wise:CAS_1689-83-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "iOxnl";
skos:prefLabel "ioxynil"@nl .
csc:JDWJZEXJARCHAT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6335496;
dbo:casNumber "2406-68-0";
dbo:formula "C6H7Sn";
dbo:inchi "InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;";
dbo:iupacName "1-cyclohexa-2,4-dienyltin"@en;
dbo:pubchem "6335496"^^xsd:int;
dbo:smiles "C1C=CC=CC1[Sn]";
dbp:inchikey "JDWJZEXJARCHAT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004441;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "monofenyltin"@nl .
csc:VDLGAVXLJYLFDH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:213031;
dbo:casNumber "126833-17-8";
dbo:formula "C14H17Cl2NO2";
dbo:inchi "InChI=1S/C14H17Cl2NO2/c1-14(7-3-2-4-8-14)13(19)17-9-5-6-10(18)12(16)11(9)15/h5-6,18H,2-4,7-8H2,1H3,(H,17,19)";
dbo:iupacName "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide"@en;
dbo:pubchem "213031"^^xsd:int;
dbo:smiles "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl";
dbp:inchikey "VDLGAVXLJYLFDH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000285;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenhxAd";
skos:prefLabel "fenhexamide"@nl .
csc:OGPBJKLSAFTDLK-AKLPVKDBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:105088;
dbo:casNumber "14391-16-3";
dbo:formula "Eu";
dbo:inchi "InChI=1S/Eu/i1+3";
dbo:iupacName "europium-155"@en;
dbo:pubchem "105088"^^xsd:int;
dbo:smiles "[Eu]";
dbp:inchikey "OGPBJKLSAFTDLK-AKLPVKDBSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Eu155";
skos:prefLabel "europium 155"@nl .
csc:OPKOKAMJFNKNAS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8016;
dbo:casNumber "109-83-1";
dbo:formula "C3H9NO";
dbo:inchi "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3";
dbo:iupacName "2-Methylaminoethanol"@en;
dbo:pubchem "8016"^^xsd:int;
dbo:smiles "CNCCO";
dbp:inchikey "OPKOKAMJFNKNAS-UHFFFAOYSA-N";
skos:altLabel "N-methylethanolamine"@nl;
skos:broader csc:CHEMONTID_0001897;
skos:inScheme vlcs:chemische_stof;
skos:notation "NMEA";
skos:prefLabel "n-methylethanolamine"@nl .
csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR II Art 5.23.1.1."@nl , "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl;
rdfs:seeAlso compound:702;
dbo:casNumber "8024-45-1" , "71329-38-9" , "8000-16-6" , "71076-86-3" , "68475-56-9" , "121182-78-3" , "64-17-5";
dbo:formula "C2H6O";
dbo:inchi "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3";
dbo:iupacName "ethanol"@en;
dbo:pubchem "702"^^xsd:int;
dbo:smiles "CCO";
dbp:inchikey "LFQSCWFLJHTTHZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000286;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2OH";
skos:prefLabel "ethanol"@nl .
csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:15910;
dbo:casNumber "37223-69-1" , "101963-73-9" , "1897-45-6";
dbo:formula "C8Cl4N2";
dbo:inchi "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14";
dbo:iupacName "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile"@en;
dbo:pubchem "15910"^^xsd:int;
dbo:smiles "C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl";
dbp:inchikey "CRQQGFGUEAVUIL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001530;
skos:exactMatch wise:CAS_1897-45-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cltlnl";
skos:prefLabel "chloorthalonil"@nl .
csc:XCYJPXQACVEIOS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:10812;
dbo:casNumber "535-77-3";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3";
dbo:iupacName "1-methyl-3-propan-2-ylbenzene"@en;
dbo:pubchem "10812"^^xsd:int;
dbo:smiles "CC1=CC(=CC=C1)C(C)C";
dbp:inchikey "XCYJPXQACVEIOS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000355;
skos:inScheme vlcs:chemische_stof;
skos:notation "1iC3y3C1yBen";
skos:prefLabel "1-isopropyl-3-methyl-benzeen (m-cymeen)"@nl .
csc:VPOMSPZBQMDLTM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11571;
dbo:casNumber "591-35-5";
dbo:formula "C6H4Cl2O";
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H";
dbo:iupacName "3,5-Dichlorophenol"@en;
dbo:pubchem "11571"^^xsd:int;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)O";
dbp:inchikey "VPOMSPZBQMDLTM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "35DClFol";
skos:prefLabel "3,5-dichloorfenol"@nl .
csc:JLYXXMFPNIAWKQ-CDRYSYESSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:727;
dbo:casNumber "319-85-7";
dbo:formula "C6H6Cl6";
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-";
dbo:iupacName "(1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane"@en;
dbo:smiles "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl";
dbp:inchikey "JLYXXMFPNIAWKQ-CDRYSYESSA-N";
skos:altLabel "β-lindaan"@nl , "β-hexachlorocyclohexaan"@nl;
skos:broader csc:CHEMONTID_0004485;
skos:exactMatch wise:CAS_319-85-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "bHCH";
skos:prefLabel "beta-hexachloorcyclohexaan"@nl .
csc:MKPDWECBUAZOHP-AFYJWTTESA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5875;
dbo:casNumber "53-33-8";
dbo:formula "C22H29FO5";
dbo:inchi "InChI=1S/C22H29FO5/c1-11-6-14-13-8-16(23)15-7-12(25)4-5-20(15,2)19(13)17(26)9-21(14,3)22(11,28)18(27)10-24/h4-5,7,11,13-14,16-17,19,24,26,28H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19-,20+,21+,22+/m1/s1";
dbo:iupacName "(6S,8S,9S,10R,11S,13S,14S,16R,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en;
dbo:pubchem "5875"^^xsd:int;
dbo:smiles "CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F";
dbp:inchikey "MKPDWECBUAZOHP-AFYJWTTESA-N";
skos:broader csc:CHEMONTID_0003095;
skos:inScheme vlcs:chemische_stof;
skos:notation "parmtsn";
skos:prefLabel "paramethason"@nl .
csc:JLYXXMFPNIAWKQ-GNIYUCBRSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:727;
dbo:casNumber "58-89-9";
dbo:formula "C6H6Cl6";
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+";
dbo:iupacName "(1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane"@en;
dbo:smiles "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl";
dbp:inchikey "JLYXXMFPNIAWKQ-GNIYUCBRSA-N";
skos:altLabel "γ-hexachlorocyclohexaan"@nl , "γ-lindaan"@nl , "lindaan"@nl;
skos:broader csc:CHEMONTID_0004485;
skos:exactMatch wise:CAS_58-89-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "gHCH";
skos:prefLabel "gamma-hexachloorcyclohexaan"@nl .
csc:CJDWRQLODFKPEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:91734;
dbo:casNumber "83121-18-0" , "99039-56-2";
dbo:formula "C14H6Cl2F4N2O2";
dbo:inchi "InChI=1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)";
dbo:iupacName "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide"@en;
dbo:pubchem "91734"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F";
dbp:inchikey "CJDWRQLODFKPEL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "tefbzrn";
skos:prefLabel "teflubenzuron"@nl .
csc:DLFVBJFMPXGRIB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:178;
dbo:casNumber "60-35-5";
dbo:formula "C2H5NO";
dbo:inchi "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)";
dbo:iupacName "ACETAMIDE"@en;
dbo:pubchem "178"^^xsd:int;
dbo:smiles "CC(=O)N";
dbp:inchikey "DLFVBJFMPXGRIB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002484;
skos:inScheme vlcs:chemische_stof;
skos:notation "actAd";
skos:prefLabel "aceetamide"@nl .
csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23963;
dbo:casNumber "37246-37-0" , "62650-70-8" , "37269-05-9" , "12794-00-2" , "37261-68-0" , "182260-48-6" , "53549-90-9" , "67796-94-5" , "12718-64-8" , "54319-51-6" , "37333-92-9" , "195161-81-0" , "11147-83-4" , "7440-32-6" , "14067-04-0" , "57854-37-2" , "37246-34-7" , "37301-57-8" , "37246-36-9";
dbo:formula "Ti";
dbo:inchi "InChI=1S/Ti";
dbo:iupacName "TITANIUM"@en;
dbo:pubchem "23963"^^xsd:int;
dbo:smiles "[Ti]";
dbp:inchikey "RTAQQCXQSZGOHL-UHFFFAOYSA-N";
skos:altLabel "titanium"@nl;
skos:broader csc:CHEMONTID_0000426;
skos:exactMatch wise:CAS_7440-32-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ti";
skos:prefLabel "titaan"@nl .
csc:RLFWWDJHLFCNIJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2151;
dbo:casNumber "83-07-8";
dbo:formula "C11H13N3O";
dbo:inchi "InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3";
dbo:iupacName "4-amino-1,5-dimethyl-2-phenylpyrazol-3-one"@en;
dbo:pubchem "2151"^^xsd:int;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N";
dbp:inchikey "RLFWWDJHLFCNIJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "4Aoatprne";
skos:prefLabel "4-aminoantipyrine"@nl .
csc:QQVHEQUEHCEAKS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:19283;
dbo:casNumber "3648-20-2" , "85507-79-5" , "154766-25-3";
dbo:formula "C30H50O4";
dbo:inchi "InChI=1S/C30H50O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-20-24-28(27)30(32)34-26-22-18-16-14-12-10-8-6-4-2/h19-20,23-24H,3-18,21-22,25-26H2,1-2H3";
dbo:iupacName "diundecyl benzene-1,2-dicarboxylate"@en;
dbo:pubchem "19283"^^xsd:int;
dbo:smiles "CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC";
dbp:inchikey "QQVHEQUEHCEAKS-UHFFFAOYSA-N";
skos:altLabel "di-n-undecylftalaat"@nl , "diundecylftalaat"@nl;
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC11yFt" , "DC11yFtvteln";
skos:prefLabel "diundecylftalaat (vertakt en lineair)"@nl .
csc:TZMHVHLTPWKZCI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:40478;
dbo:casNumber "52663-71-5";
dbo:formula "C12H3Cl7";
dbo:inchi "InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H";
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene"@en;
dbo:pubchem "40478"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "TZMHVHLTPWKZCI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB171";
skos:prefLabel "2,2',3,3',4,4',6-heptachloorbifenyl"@nl .
csc:ZLCSFXXPPANWQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:12100;
dbo:casNumber "620-14-4";
dbo:formula "C9H12";
dbo:inchi "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3";
dbo:iupacName "1-Ethyl-3-methylbenzene"@en;
dbo:pubchem "12100"^^xsd:int;
dbo:smiles "CCC1=CC=CC(=C1)C";
dbp:inchikey "ZLCSFXXPPANWQY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001091;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C2yTol";
skos:prefLabel "3-ethyltolueen"@nl .
csc:JGFYQVQAXANWJU-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6123;
dbo:casNumber "62-74-8";
dbo:formula "C2H2FNaO2";
dbo:inchi "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1";
dbo:iupacName "sodium 2-fluoroacetate"@en;
dbo:pubchem "6123"^^xsd:int;
dbo:smiles "C(C(=O)[O-])F.[Na+]";
dbp:inchikey "JGFYQVQAXANWJU-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaFactt";
skos:prefLabel "natriumfluoracetaat"@nl .
csc:YATDSXRLIUJOQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:128901;
dbo:casNumber "67640-14-6";
dbo:formula "C15H11Cl2F5O2";
dbo:inchi "InChI=1S/C15H11Cl2F5O2/c1-15(2)6(3-7(16)17)8(15)14(23)24-4-5-9(18)11(20)13(22)12(21)10(5)19/h3,6,8H,4H2,1-2H3";
dbo:iupacName "(2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en;
dbo:pubchem "128901"^^xsd:int;
dbo:smiles "CC1(C(C1C(=O)OCC2=C(C(=C(C(=C2F)F)F)F)F)C=C(Cl)Cl)C";
dbp:inchikey "YATDSXRLIUJOQN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001097;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenftn";
skos:prefLabel "fenfluthrin"@nl .
csc:SOUGWDPPRBKJEX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:122087;
dbo:casNumber "160171-18-6" , "156052-68-5";
dbo:formula "C14H16Cl3NO2";
dbo:inchi "InChI=1S/C14H16Cl3NO2/c1-4-14(3,12(19)7-15)18-13(20)9-5-10(16)8(2)11(17)6-9/h5-6H,4,7H2,1-3H3,(H,18,20)";
dbo:iupacName "3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide"@en;
dbo:pubchem "122087"^^xsd:int;
dbo:smiles "CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl";
dbp:inchikey "SOUGWDPPRBKJEX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "zOaAd";
skos:prefLabel "zoxamide"@nl .
csc:YXIWHUQXZSMYRE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8997;
dbo:casNumber "149-30-4" , "12640-90-3" , "81605-65-4" , "112242-83-8" , "55199-93-4" , "119170-41-1" , "4464-58-8";
dbo:formula "C7H5NS2";
dbo:inchi "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)";
dbo:iupacName "3H-1,3-benzothiazole-2-thione"@en;
dbo:pubchem "8997"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)S";
dbp:inchikey "YXIWHUQXZSMYRE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "2benztazetol";
skos:prefLabel "2-benzothiazolethiol"@nl .
csc:AXISYYRBXTVTFY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8042;
dbo:casNumber "1405-98-7" , "110-27-0";
dbo:formula "C17H34O2";
dbo:inchi "InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(18)19-16(2)3/h16H,4-15H2,1-3H3";
dbo:iupacName "propan-2-yl tetradecanoate"@en;
dbo:pubchem "8042"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCC(=O)OC(C)C";
dbp:inchikey "AXISYYRBXTVTFY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "iC3ymrtt";
skos:prefLabel "isopropylmyristaat"@nl .
csc:AFTSHZRGGNMLHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13132;
dbo:casNumber "812-04-4";
dbo:formula "C2HCl2F3";
dbo:inchi "InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H";
dbo:iupacName "1,1-Dichloro-1,2,2-trifluoroethane"@en;
dbo:pubchem "13132"^^xsd:int;
dbo:smiles "C(C(F)(Cl)Cl)(F)F";
dbp:inchikey "AFTSHZRGGNMLHC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCFK123b";
skos:prefLabel "1,1-dichloor-1,2,2-trifluorethaan"@nl .
csc:PUDIUYLPXJFUGB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:23942;
dbo:casNumber "24562-03-6" , "7440-10-0" , "110123-50-7";
dbo:formula "Pr";
dbo:inchi "InChI=1S/Pr";
dbo:iupacName "praseodymium"@en;
dbo:pubchem "23942"^^xsd:int;
dbo:smiles "[Pr]";
dbp:inchikey "PUDIUYLPXJFUGB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:exactMatch wise:CAS_7440-10-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "Pr";
skos:prefLabel "praeseodyum"@nl .
csc:JYGXADMDTFJGBT-VWUMJDOOSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5754;
dbo:casNumber "8056-08-4" , "80562-38-5" , "50-23-7" , "8063-42-1";
dbo:formula "C21H30O5";
dbo:inchi "InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1";
dbo:iupacName "(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one"@en;
dbo:pubchem "5754"^^xsd:int;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O";
dbp:inchikey "JYGXADMDTFJGBT-VWUMJDOOSA-N";
skos:broader csc:CHEMONTID_0003095;
skos:inScheme vlcs:chemische_stof;
skos:notation "Hcortsn";
skos:prefLabel "hydrocortison"@nl .
csc:CXWXQJXEFPUFDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8404;
dbo:casNumber "119-64-2" , "68412-24-8";
dbo:formula "C10H12";
dbo:inchi "InChI=1S/C10H12/c1-2-6-10-8-4-3-7-9(10)5-1/h1-2,5-6H,3-4,7-8H2";
dbo:iupacName "1,2,3,4-Tetrahydronaphthalene"@en;
dbo:pubchem "8404"^^xsd:int;
dbo:smiles "C1CCC2=CC=CC=C2C1";
dbp:inchikey "CXWXQJXEFPUFDZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000048;
skos:inScheme vlcs:chemische_stof;
skos:notation "1234T4HNaf";
skos:prefLabel "1,2,3,4-tetrahydronaftaleen"@nl .
csc:HJWLCRVIBGQPNF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:9309;
dbo:casNumber "300-57-2" , "57807-91-7" , "128961-80-8";
dbo:formula "C9H10";
dbo:inchi "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2";
dbo:iupacName "prop-2-enylbenzene"@en;
dbo:pubchem "9309"^^xsd:int;
dbo:smiles "C=CCC1=CC=CC=C1";
dbp:inchikey "HJWLCRVIBGQPNF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C3yeBen";
skos:prefLabel "2-propenylbenzeen"@nl .
csc:CMWTZPSULFXXJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1302;
dbo:casNumber "23981-80-8" , "22204-53-1" , "26159-31-9";
dbo:formula "C14H14O3";
dbo:inchi "InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)";
dbo:iupacName "2-(6-methoxynaphthalen-2-yl)propanoic acid"@en;
dbo:pubchem "1302"^^xsd:int;
dbo:smiles "CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O";
dbp:inchikey "CMWTZPSULFXXJA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:exactMatch wise:CAS_22204-53-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "napxn";
skos:prefLabel "naproxen"@nl .
csc:XQUXKZZNEFRCAW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:47326;
dbo:casNumber "64257-84-7" , "39515-41-8";
dbo:formula "C22H23NO3";
dbo:inchi "InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3";
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate"@en;
dbo:pubchem "47326"^^xsd:int;
dbo:smiles "CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C";
dbp:inchikey "XQUXKZZNEFRCAW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenpratn";
skos:prefLabel "fenpropathrin"@nl .
csc:YWWVWXASSLXJHU-WAYWQWQTSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5281119;
dbo:casNumber "544-64-9";
dbo:formula "C14H26O2";
dbo:inchi "InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-";
dbo:iupacName "(Z)-Tetradec-9-enoic acid"@en;
dbo:pubchem "5281119"^^xsd:int;
dbo:smiles "CCCCC=CCCCCCCCC(=O)O";
dbp:inchikey "YWWVWXASSLXJHU-WAYWQWQTSA-N";
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "myrslinzr";
skos:prefLabel "myristoleinezuur"@nl .
csc:QYIXCDOBOSTCEI-NWKZBHTNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:221122;
dbo:casNumber "360-68-9";
dbo:formula "C27H48O";
dbo:inchi "InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1";
dbo:iupacName "(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en;
dbo:pubchem "221122"^^xsd:int;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C";
dbp:inchikey "QYIXCDOBOSTCEI-NWKZBHTNSA-N";
skos:broader csc:CHEMONTID_0001469;
skos:inScheme vlcs:chemische_stof;
skos:notation "5acholet3bol";
skos:prefLabel "5-beta-cholestan-3-beta-ol"@nl .
csc:VYZAMTAEIAYCRO-BJUDXGSMSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:104786;
dbo:casNumber "14392-02-0";
dbo:formula "Cr";
dbo:inchi "InChI=1S/Cr/i1-1";
dbo:iupacName "chromium-51"@en;
dbo:pubchem "104786"^^xsd:int;
dbo:smiles "[Cr]";
dbp:inchikey "VYZAMTAEIAYCRO-BJUDXGSMSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cr51";
skos:prefLabel "chroom 51"@nl .
csc:HHEFNVCDPLQQTP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:24639;
dbo:casNumber "53026-82-7" , "13777-04-3" , "87110-01-8" , "19166-97-3" , "222532-79-8" , "7790-98-9" , "28499-39-0";
dbo:formula "ClH4NO4";
dbo:inchi "InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3";
dbo:iupacName "azanium perchlorate"@en;
dbo:pubchem "24639"^^xsd:int;
dbo:smiles "[NH4+].[O-]Cl(=O)(=O)=O";
dbp:inchikey "HHEFNVCDPLQQTP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001065;
skos:inScheme vlcs:chemische_stof;
skos:notation "NH4ClO4";
skos:prefLabel "ammoniumperchloraat"@nl .
csc:SYDNSSSQVSOXTN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8391;
dbo:casNumber "12167-20-3" , "68137-08-6" , "119-33-5";
dbo:formula "C7H7NO3";
dbo:inchi "InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3";
dbo:iupacName "4-Methyl-2-nitrophenol"@en;
dbo:pubchem "8391"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)O)[N+](=O)[O-]";
dbp:inchikey "SYDNSSSQVSOXTN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000141;
skos:inScheme vlcs:chemische_stof;
skos:notation "2NO2pcsl";
skos:prefLabel "2-nitro-p-cresol"@nl .
csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4169;
dbo:casNumber "51218-45-2" , "94449-58-8" , "82535-90-8" , "55762-76-0" , "63150-68-5";
dbo:formula "C15H22ClNO2";
dbo:inchi "InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3";
dbo:iupacName "2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide"@en;
dbo:pubchem "4169"^^xsd:int;
dbo:smiles "CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C";
dbp:inchikey "WVQBLGZPHOPPFO-UHFFFAOYSA-N";
skos:altLabel "metolachloor"@nl;
skos:broader csc:CHEMONTID_0000285;
skos:exactMatch wise:CAS_51218-45-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "metlCl";
skos:prefLabel "metolachlor"@nl .
csc:PYZRQGJRPPTADH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:3878;
dbo:casNumber "84057-84-1";
dbo:formula "C9H7Cl2N5";
dbo:inchi "InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)";
dbo:iupacName "6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine"@en;
dbo:pubchem "3878"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N";
dbp:inchikey "PYZRQGJRPPTADH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "lamtgne";
skos:prefLabel "lamotrigine"@nl .
csc:GKOZUEZYRPOHIO-IGMARMGPSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:66373;
dbo:casNumber "14694-69-0";
dbo:formula "Ir";
dbo:inchi "InChI=1S/Ir/i1+0";
dbo:iupacName "iridium-192"@en;
dbo:pubchem "66373"^^xsd:int;
dbo:smiles "[Ir]";
dbp:inchikey "GKOZUEZYRPOHIO-IGMARMGPSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ir192";
skos:prefLabel "iridium 192"@nl .
csc:AUODDLQVRAJAJM-GQYOKNPUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:441204;
dbo:casNumber "21462-39-5";
dbo:formula "C18H34Cl2N2O5S";
dbo:inchi "InChI=1S/C18H33ClN2O5S.ClH/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);1H/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 hydrochloride"@en;
dbo:pubchem "441204"^^xsd:int;
dbo:smiles "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl";
dbp:inchikey "AUODDLQVRAJAJM-GQYOKNPUSA-N";
skos:broader csc:CHEMONTID_0002205;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "clindamycine, waterstofchloride"@nl .
csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7206;
dbo:casNumber "94-80-4";
dbo:formula "C12H14Cl2O3";
dbo:inchi "InChI=1S/C12H14Cl2O3/c1-2-3-6-16-12(15)8-17-11-5-4-9(13)7-10(11)14/h4-5,7H,2-3,6,8H2,1H3";
dbo:iupacName "butyl 2-(2,4-dichlorophenoxy)acetate"@en;
dbo:pubchem "7206"^^xsd:int;
dbo:smiles "CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "UQMRAFJOBWOFNS-UHFFFAOYSA-N";
skos:altLabel "2,4-D butyl ester"@nl;
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DC4yEsr";
skos:prefLabel "2,4-d butyl ester"@nl .
csc:GSWAOPJLTADLTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'"@nl , "VLAR III (D3, diverse art) 'NOx'"@nl , "VLAR II (D2) 'stikstofoxiden (NOx)'"@nl , "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'"@nl , "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'"@nl , "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''"@nl , " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'"@nl , "VLAR II bijl. 2.5.3. 'stikstofoxiden'"@nl , "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'"@nl;
rdfs:seeAlso compound:160954;
dbo:casNumber "11129-69-4" , "11104-93-1";
dbo:formula "H3NO";
dbo:inchi "InChI=1S/H3NO/c1-2/h1H3";
dbo:iupacName "oxidoazanium"@en;
dbo:pubchem "160954"^^xsd:int;
dbo:smiles "[NH3+][O-]";
dbp:inchikey "GSWAOPJLTADLTN-UHFFFAOYSA-N";
skos:altLabel "stikstofoxiden (NOx), uitgedrukt als NO2"@nl;
skos:broader csc:CHEMONTID_0000554;
skos:definition "stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))"@nl;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "stikstofoxiden (nox), uitgedrukt als no2"@nl .
csc:RVMKCACFKFAJPS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:57358057;
dbo:casNumber "39492-90-5";
dbo:formula "C6HF11O6";
dbo:inchi "InChI=1S/C6HF11O6/c7-2(8,1(18)19)20-4(12,13)22-6(16,17)23-5(14,15)21-3(9,10)11/h(H,18,19)";
dbo:iupacName "2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid"@en;
dbo:pubchem "57358057"^^xsd:int;
dbo:smiles "C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O";
dbp:inchikey "RVMKCACFKFAJPS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFO4DA";
skos:prefLabel "perfluor-3,5,7,9-tetraoxadecaanzuur"@nl .
csc:BQYJATMQXGBDHF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:86173;
dbo:casNumber "119446-68-3";
dbo:formula "C19H17Cl2N3O3";
dbo:inchi "InChI=1S/C19H17Cl2N3O3/c1-13-9-25-19(27-13,10-24-12-22-11-23-24)17-7-6-16(8-18(17)21)26-15-4-2-14(20)3-5-15/h2-8,11-13H,9-10H2,1H3";
dbo:iupacName "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole"@en;
dbo:pubchem "86173"^^xsd:int;
dbo:smiles "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl";
dbp:inchikey "BQYJATMQXGBDHF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dfncnzl";
skos:prefLabel "difenoconazool"@nl .
csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:8076;
dbo:casNumber "110-80-5" , "96231-36-6";
dbo:formula "C4H10O2";
dbo:inchi "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3";
dbo:iupacName "2-Ethoxyethanol"@en;
dbo:pubchem "8076"^^xsd:int;
dbo:smiles "CCOCCO";
dbp:inchikey "ZNQVEEAIQZEUHB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C2oxC2ol";
skos:prefLabel "2-ethoxyethanol"@nl .
csc:WGYKZJWCGVVSQN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7852;
dbo:casNumber "107-10-8" , "68187-44-0" , "42939-71-9" , "68187-43-9" , "68130-70-1" , "68130-69-8" , "68187-45-1";
dbo:formula "C3H9N";
dbo:inchi "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3";
dbo:iupacName "Propan-1-amine"@en;
dbo:pubchem "7852"^^xsd:int;
dbo:smiles "CCCN";
dbp:inchikey "WGYKZJWCGVVSQN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "1AoC3a";
skos:prefLabel "1-aminopropaan"@nl .
csc:AXKZIDYFAMKWSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13064;
dbo:casNumber "777-95-7";
dbo:formula "C10H16O4";
dbo:inchi "InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2";
dbo:iupacName "1,6-DIOXACYCLODODECANE-7,12-DIONE"@en;
dbo:pubchem "13064"^^xsd:int;
dbo:smiles "C1CCC(=O)OCCCCOC(=O)C1";
dbp:inchikey "AXKZIDYFAMKWSA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000147;
skos:inScheme vlcs:chemische_stof;
skos:notation "16DOxccC12a7";
skos:prefLabel "1,6-dioxacyclododecaan-7,12-dion"@nl .
csc:KVBKAPANDHPRDG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:31301;
dbo:casNumber "124-73-2" , "76199-55-8";
dbo:formula "C2Br2F4";
dbo:inchi "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8";
dbo:iupacName "1,2-Dibromo-1,1,2,2-tetrafluoroethane"@en;
dbo:pubchem "31301"^^xsd:int;
dbo:smiles "C(C(F)(F)Br)(F)(F)Br";
dbp:inchikey "KVBKAPANDHPRDG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "halon2402";
skos:prefLabel "1,2-dibroomtetrafluorethaan"@nl .
csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:813;
dbo:casNumber "24203-36-9" , "7440-09-7";
dbo:formula "K+";
dbo:inchi "InChI=1S/K/q+1";
dbo:iupacName "potassium(+1) cation"@en;
dbo:pubchem "813"^^xsd:int;
dbo:smiles "[K+]";
dbp:inchikey "NPYPAHLBTDXSSS-UHFFFAOYSA-N";
skos:altLabel "kalium"@nl;
skos:broader csc:CHEMONTID_0000425;
skos:exactMatch wise:CAS_7440-09-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "K+";
skos:prefLabel "kalium, eenwaardig"@nl .
csc:DIAQQISRBBDJIM-DRSCAGMXSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6437382;
dbo:casNumber "96180-79-9";
dbo:formula "C46H67N7O12";
dbo:inchi "InChI=1S/C46H67N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-18,22,24,26-30,33-36,38H,9,19-21,23H2,1-8,10-11H3,(H,47,56)(H,48,59)(H,49,57)(H,50,55)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b18-17+,25-22+/t26-,27-,28-,29-,30+,33-,34+,35-,36-,38+/m0/s1";
dbo:iupacName "(5R,8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,15,19-pentamethyl-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 "6437382"^^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)C)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C";
dbp:inchikey "DIAQQISRBBDJIM-DRSCAGMXSA-N";
skos:broader csc:CHEMONTID_0002010;
skos:inScheme vlcs:chemische_stof;
skos:notation "MC-LA";
skos:prefLabel "microsystine-LA"@nl .
csc:HGLDOAKPQXAFKI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:23997;
dbo:casNumber "22541-43-1" , "7440-71-3";
dbo:formula "Cf";
dbo:inchi "InChI=1S/Cf";
dbo:iupacName "CALIFORNIUM"@en;
dbo:pubchem "23997"^^xsd:int;
dbo:smiles "[Cf]";
dbp:inchikey "HGLDOAKPQXAFKI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cf";
skos:prefLabel "californium"@nl .
csc:ZCTNDJSCLPJCRA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:49923;
dbo:casNumber "67517-48-0";
dbo:formula "C12H3Cl5O";
dbo:inchi "InChI=1S/C12H3Cl5O/c13-4-1-2-6-5(3-4)7-8(14)9(15)10(16)11(17)12(7)18-6/h1-3H";
dbo:iupacName "1,2,3,4,8-PENTACHLORODIBENZOFURAN"@en;
dbo:pubchem "49923"^^xsd:int;
dbo:smiles "C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl";
dbp:inchikey "ZCTNDJSCLPJCRA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003029;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF89";
skos:prefLabel "1,2,3,4,8-pentachloordibenzofuraan"@nl .
csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2405;
dbo:casNumber "66722-44-9";
dbo:formula "C18H31NO4";
dbo:inchi "InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3";
dbo:iupacName "1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol"@en;
dbo:pubchem "2405"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O";
dbp:inchikey "VHYCDWMUTMEGQY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002542;
skos:inScheme vlcs:chemische_stof;
skos:notation "bispll";
skos:prefLabel "bisoprolol"@nl .
csc:CVKMFSAVYPAZTQ-ZCFIWIBFSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6999857;
dbo:casNumber "4536-23-6";
dbo:formula "C7H13O2-";
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1/t6-/m1/s1";
dbo:iupacName "(2R)-2-methylhexanoate"@en;
dbo:pubchem "6999857"^^xsd:int;
dbo:smiles "CCCCC(C)C(=O)[O-]";
dbp:inchikey "CVKMFSAVYPAZTQ-ZCFIWIBFSA-M";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yC6azr";
skos:prefLabel "2-methylhexaanzuur"@nl .
csc:YVBGRQLITPHVOP-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:26118;
dbo:casNumber "13573-18-7";
dbo:formula "H3Na2O10P3";
dbo:inchi "InChI=1S/2Na.H5O10P3/c;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2";
dbo:iupacName "disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate"@en;
dbo:pubchem "26118"^^xsd:int;
dbo:smiles "OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]";
dbp:inchikey "YVBGRQLITPHVOP-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0000656;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaTplPO4";
skos:prefLabel "natriumtripolyfosfaat"@nl .
csc:LQOLIRLGBULYKD-JKIFEVAISA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6098;
dbo:casNumber "8056-79-9" , "50763-55-8" , "61-72-3";
dbo:formula "C19H18ClN3O5S";
dbo:inchi "InChI=1S/C19H18ClN3O5S/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27)/t13-,14+,17-/m1/s1";
dbo:iupacName "(2S,5R,6R)-6-[[3-(2-chlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en;
dbo:pubchem "6098"^^xsd:int;
dbo:smiles "CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O";
dbp:inchikey "LQOLIRLGBULYKD-JKIFEVAISA-N";
skos:broader csc:CHEMONTID_0004830;
skos:inScheme vlcs:chemische_stof;
skos:notation "cloxclne";
skos:prefLabel "cloxacilline"@nl .
csc:RANCECPPZPIPNO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:66;
dbo:casNumber "583-78-8";
dbo:formula "C6H4Cl2O";
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H";
dbo:iupacName "2,5-dichlorophenol"@en;
dbo:pubchem "66"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)O)Cl";
dbp:inchikey "RANCECPPZPIPNO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "25DClFol";
skos:prefLabel "2,5-dichloorfenol"@nl .
csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7289;
dbo:casNumber "27988-86-9" , "26545-73-3" , "26602-95-9" , "96-23-1" , "148584-48-9";
dbo:formula "C3H6Cl2O";
dbo:inchi "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2";
dbo:iupacName "1,3-Dichloropropan-2-ol"@en;
dbo:pubchem "7289"^^xsd:int;
dbo:smiles "C(C(CCl)O)Cl";
dbp:inchikey "DEWLEGDTCGBNGU-UHFFFAOYSA-N";
skos:altLabel "1,3-dichloor-2-propanol"@nl;
skos:broader csc:CHEMONTID_0002608;
skos:exactMatch wise:CAS_96-23-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "13DCl2C3ol" , "DClC3ol";
skos:prefLabel "dichloorpropanol"@nl .
csc:RDJGLLICXDHJDY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3342;
dbo:casNumber "29679-58-1" , "31879-05-7";
dbo:formula "C15H14O3";
dbo:inchi "InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)";
dbo:iupacName "2-[3-(phenoxy)phenyl]propanoic acid"@en;
dbo:pubchem "3342"^^xsd:int;
dbo:smiles "CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O";
dbp:inchikey "RDJGLLICXDHJDY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenpfn";
skos:prefLabel "fenoprofen"@nl .
csc:BTFQKIATRPGRBS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10722;
dbo:casNumber "529-20-4";
dbo:formula "C8H8O";
dbo:inchi "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3";
dbo:iupacName "2-Methylbenzaldehyde"@en;
dbo:pubchem "10722"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1C=O";
dbp:inchikey "BTFQKIATRPGRBS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000321;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yBenAh";
skos:prefLabel "2-methyl-benzaldehyde"@nl .
csc:XLYOFNOQVPJJNP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:962;
dbo:casNumber "558440-22-5" , "13670-17-2" , "14314-42-2" , "7732-18-5" , "17778-80-2";
dbo:formula "H2O";
dbo:inchi "InChI=1S/H2O/h1H2";
dbo:iupacName "oxidane"@en;
dbo:pubchem "962"^^xsd:int;
dbo:smiles "O";
dbp:inchikey "XLYOFNOQVPJJNP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000434;
skos:inScheme vlcs:chemische_stof;
skos:notation "O18-H2O";
skos:prefLabel "zuurstof18 water"@nl .
csc:QTXVAVXCBMYBJW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6691;
dbo:casNumber "5543-57-7" , "5543-56-6" , "56573-89-8" , "81-81-2";
dbo:formula "C19H16O4";
dbo:inchi "InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,22H,11H2,1H3";
dbo:iupacName "2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one"@en;
dbo:pubchem "6691"^^xsd:int;
dbo:smiles "CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O";
dbp:inchikey "QTXVAVXCBMYBJW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001633;
skos:inScheme vlcs:chemische_stof;
skos:notation "warfrn";
skos:prefLabel "warfarin"@nl .
csc:TVFDJXOCXUVLDH-AKLPVKDBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6335316;
dbo:casNumber "14234-29-8";
dbo:formula "Cs";
dbo:inchi "InChI=1S/Cs/i1+3";
dbo:iupacName "cesium-136"@en;
dbo:pubchem "6335316"^^xsd:int;
dbo:smiles "[Cs]";
dbp:inchikey "TVFDJXOCXUVLDH-AKLPVKDBSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cs136";
skos:prefLabel "cesium 136"@nl .
csc:VNWKTOKETHGBQD-NJFSPNSNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:26873;
dbo:casNumber "14762-75-5";
dbo:formula "CH4";
dbo:inchi "InChI=1S/CH4/h1H4/i1+2";
dbo:iupacName "Carbane-14"@en;
dbo:pubchem "26873"^^xsd:int;
dbo:smiles "C";
dbp:inchikey "VNWKTOKETHGBQD-NJFSPNSNSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C14";
skos:prefLabel "koolstof 14"@nl .
csc:KJZYNXUDTRRSPN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:23988;
dbo:casNumber "110444-52-5" , "24490-89-9" , "7440-60-0";
dbo:formula "Ho";
dbo:inchi "InChI=1S/Ho";
dbo:iupacName "HOLMIUM"@en;
dbo:pubchem "23988"^^xsd:int;
dbo:smiles "[Ho]";
dbp:inchikey "KJZYNXUDTRRSPN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ho";
skos:prefLabel "holmium"@nl .
csc:WZCQRUWWHSTZEM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7935;
dbo:casNumber "108-45-2";
dbo:formula "C6H8N2";
dbo:inchi "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2";
dbo:iupacName "benzene-1,3-diamine"@en;
dbo:pubchem "7935"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)N)N";
dbp:inchikey "WZCQRUWWHSTZEM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "13DAoBen";
skos:prefLabel "1,3-diaminobenzeen"@nl .
csc:YZBLFMPOMVTDJY-BFPKLJSTSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:9571036;
dbo:casNumber "113507-06-5" , "119719-24-3";
dbo:formula "C37H53NO8";
dbo:inchi "InChI=1S/C37H53NO8/c1-21(2)14-25(6)33-26(7)31(38-42-8)19-36(46-33)18-29-17-28(45-36)13-12-23(4)15-22(3)10-9-11-27-20-43-34-32(39)24(5)16-30(35(40)44-29)37(27,34)41/h9-12,14,16,21-22,26,28-30,32-34,39,41H,13,15,17-20H2,1-8H3/b10-9+,23-12+,25-14+,27-11+,38-31+/t22-,26-,28+,29-,30-,32+,33?,34+,36-,37+/m0/s1";
dbo:iupacName "(1R,4S,4'E,5'S,6R,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one"@en;
dbo:pubchem "9571036"^^xsd:int;
dbo:smiles "CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C";
dbp:inchikey "YZBLFMPOMVTDJY-BFPKLJSTSA-N";
skos:broader csc:CHEMONTID_0002902;
skos:inScheme vlcs:chemische_stof;
skos:notation "moxdtn";
skos:prefLabel "moxidectin"@nl .
csc:DYSXLQBUUOPLBB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11761;
dbo:casNumber "602-01-7";
dbo:formula "C7H6N2O4";
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3";
dbo:iupacName "1-Methyl-2,3-dinitrobenzene"@en;
dbo:pubchem "11761"^^xsd:int;
dbo:smiles "CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "DYSXLQBUUOPLBB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003969;
skos:inScheme vlcs:chemische_stof;
skos:notation "23DNO2Tol";
skos:prefLabel "2,3-dinitrotolueen"@nl .
csc:WABPQHHGFIMREM-RNFDNDRNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6337094;
dbo:casNumber "15816-77-0";
dbo:formula "Pb";
dbo:inchi "InChI=1S/Pb/i1+4";
dbo:iupacName "lead-211"@en;
dbo:pubchem "6337094"^^xsd:int;
dbo:smiles "[Pb]";
dbp:inchikey "WABPQHHGFIMREM-RNFDNDRNSA-N";
skos:broader csc:CHEMONTID_0000427;
skos:inScheme vlcs:chemische_stof;
skos:notation "Pb211";
skos:prefLabel "lood 211"@nl .
csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:86418;
dbo:casNumber "138261-41-3" , "105827-78-9";
dbo:formula "C9H10ClN5O2";
dbo:inchi "InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)";
dbo:iupacName "N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide"@en;
dbo:pubchem "86418"^^xsd:int;
dbo:smiles "C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl";
dbp:inchikey "YWTYJOPNNQFBPC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004667;
skos:exactMatch wise:CAS_138261-41-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "imdcpd";
skos:prefLabel "imidacloprid"@nl .
csc:UYAHIZSMUZPPFV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23980;
dbo:casNumber "110424-79-8" , "7440-52-0";
dbo:formula "Er";
dbo:inchi "InChI=1S/Er";
dbo:iupacName "ERBIUM"@en;
dbo:pubchem "23980"^^xsd:int;
dbo:smiles "[Er]";
dbp:inchikey "UYAHIZSMUZPPFV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Er";
skos:prefLabel "erbium"@nl .
csc:GKLVYJBZJHMRIY-YPZZEJLDSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:167171;
dbo:casNumber "14808-44-7";
dbo:formula "Tc";
dbo:inchi "InChI=1S/Tc/i1-2";
dbo:iupacName "technetium-96"@en;
dbo:pubchem "167171"^^xsd:int;
dbo:smiles "[Tc]";
dbp:inchikey "GKLVYJBZJHMRIY-YPZZEJLDSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tc96";
skos:prefLabel "technetium 96"@nl .
csc:SWFNPENEBHAHEB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7265;
dbo:casNumber "95-85-2";
dbo:formula "C6H6ClNO";
dbo:inchi "InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2";
dbo:iupacName "2-Amino-4-chlorophenol"@en;
dbo:pubchem "7265"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)N)O";
dbp:inchikey "SWFNPENEBHAHEB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002772;
skos:exactMatch wise:CAS_95-85-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Ao4ClFol";
skos:prefLabel "2-amino-4-chloorfenol"@nl .
csc:BTFJIXJJCSYFAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12404;
dbo:casNumber "629-96-9" , "28679-05-2";
dbo:formula "C20H42O";
dbo:inchi "InChI=1S/C20H42O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h21H,2-20H2,1H3";
dbo:iupacName "Icosan-1-ol"@en;
dbo:pubchem "12404"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCO";
dbp:inchikey "BTFJIXJJCSYFAL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002951;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C20ol";
skos:prefLabel "1-eicosanol"@nl .
csc:LGPPATCNSOSOQH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:69636;
dbo:casNumber "685-63-2";
dbo:formula "C4F6";
dbo:inchi "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10";
dbo:iupacName "1,1,2,3,4,4-Hexafluorobuta-1,3-diene"@en;
dbo:pubchem "69636"^^xsd:int;
dbo:smiles "C(=C(F)F)(C(=C(F)F)F)F";
dbp:inchikey "LGPPATCNSOSOQH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002861;
skos:inScheme vlcs:chemische_stof;
skos:notation "HxF13btDen";
skos:prefLabel "hexafluor-1,3-butadieen"@nl .
csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:6584;
dbo:casNumber "79-20-9";
dbo:formula "C3H6O2";
dbo:inchi "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3";
dbo:iupacName "METHYL ACETATE"@en;
dbo:pubchem "6584"^^xsd:int;
dbo:smiles "CC(=O)OC";
dbp:inchikey "KXKVLQRXCPHEJC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003416;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yactt";
skos:prefLabel "methylacetaat"@nl .
csc:RMMXTBMQSGEXHJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6009;
dbo:casNumber "58-15-1" , "144574-10-7";
dbo:formula "C13H17N3O";
dbo:inchi "InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3";
dbo:iupacName "4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one"@en;
dbo:pubchem "6009"^^xsd:int;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C";
dbp:inchikey "RMMXTBMQSGEXHJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "Aofnzn";
skos:prefLabel "aminofenazon"@nl .
csc:CYRMSUTZVYGINF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:6389;
dbo:casNumber "79620-41-0" , "83589-40-6" , "91315-61-6" , "62185-70-0" , "75-69-4";
dbo:formula "CCl3F";
dbo:inchi "InChI=1S/CCl3F/c2-1(3,4)5";
dbo:iupacName "trichloro-fluoromethane"@en;
dbo:pubchem "6389"^^xsd:int;
dbo:smiles "C(F)(Cl)(Cl)Cl";
dbp:inchikey "CYRMSUTZVYGINF-UHFFFAOYSA-N";
skos:altLabel "trichloorfluormethaan "@nl;
skos:broader csc:CHEMONTID_0004521;
skos:exactMatch wise:CAS_75-69-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "CFK11";
skos:prefLabel "trichloorfluormethaan"@nl .
csc:QGMRQYFBGABWDR-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5982;
dbo:casNumber "8023-11-8" , "8050-99-5" , "23714-57-0" , "57-33-0" , "10579-81-4";
dbo:formula "C11H17N2NaO3";
dbo:inchi "InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1";
dbo:iupacName "['sodium 5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate', 'sodium 5-ethyl-5-pentan-2-ylpyrimidin-3-ide-2,4,6-trione', 'sodium 5-ethyl-2,6-dioxo-5-pentan-2-ylpyrimidin-4-olate']"@en;
dbo:pubchem "5982"^^xsd:int;
dbo:smiles "CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]";
dbp:inchikey "QGMRQYFBGABWDR-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000292;
skos:inScheme vlcs:chemische_stof;
skos:notation "pentbbtNa";
skos:prefLabel "pentobarbital-natrium"@nl .
csc:SLCGUGMPSUYJAY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:31068;
dbo:casNumber "20453-96-7" , "38561-59-0" , "22212-55-1" , "33878-50-1";
dbo:formula "C18H17Cl2NO3";
dbo:inchi "InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3";
dbo:iupacName "ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate"@en;
dbo:pubchem "31068"^^xsd:int;
dbo:smiles "CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2";
dbp:inchikey "SLCGUGMPSUYJAY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004713;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzyppC2y";
skos:prefLabel "benzoylprop-ethyl"@nl .
csc:UGNWTBMOAKPKBL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8371;
dbo:casNumber "142655-99-0" , "118-75-2";
dbo:formula "C6Cl4O2";
dbo:inchi "InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11";
dbo:iupacName "2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione"@en;
dbo:pubchem "8371"^^xsd:int;
dbo:smiles "C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl";
dbp:inchikey "UGNWTBMOAKPKBL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002494;
skos:inScheme vlcs:chemische_stof;
skos:notation "chloranl";
skos:prefLabel "chloranil"@nl .
csc:GADNZGQWPNTMCH-NTMALXAHSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6386353;
dbo:casNumber "34880-43-8";
dbo:formula "C10H18O";
dbo:inchi "InChI=1S/C10H18O/c1-3-5-6-8-10(9-11)7-4-2/h8-9H,3-7H2,1-2H3/b10-8-";
dbo:iupacName "(Z)-2-propylhept-2-enal"@en;
dbo:pubchem "6386353"^^xsd:int;
dbo:smiles "CCCCC=C(CCC)C=O";
dbp:inchikey "GADNZGQWPNTMCH-NTMALXAHSA-N";
skos:broader csc:CHEMONTID_0002229;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C3y2C7eal";
skos:prefLabel "2-propyl-2-heptenal"@nl .
csc:ZFDIRQKJPRINOQ-HYXAFXHYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5354263;
dbo:casNumber "10544-63-5";
dbo:formula "C6H10O2";
dbo:inchi "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-";
dbo:iupacName "ethyl (Z)-but-2-enoate"@en;
dbo:pubchem "5354263"^^xsd:int;
dbo:smiles "CCOC(=O)C=CC";
dbp:inchikey "ZFDIRQKJPRINOQ-HYXAFXHYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yctnt";
skos:prefLabel "ethylcrotonaat"@nl .
csc:XSXIVVZCUAHUJO-HZJYTTRNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6439848;
dbo:casNumber "5598-38-9";
dbo:formula "C20H36O2";
dbo:inchi "InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-";
dbo:iupacName "(11Z,14Z)-icosa-11,14-dienoic acid"@en;
dbo:pubchem "6439848"^^xsd:int;
dbo:smiles "CCCCCC=CCC=CCCCCCCCCCC(=O)O";
dbp:inchikey "XSXIVVZCUAHUJO-HZJYTTRNSA-N";
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "c1114C20aDzr";
skos:prefLabel "cis-11,14-eicosadieenzuur"@nl .
csc:ZMRUPTIKESYGQW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62882;
dbo:casNumber "318-98-9";
dbo:formula "C16H22ClNO2";
dbo:inchi "InChI=1S/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H";
dbo:iupacName "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride"@en;
dbo:pubchem "62882"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl";
dbp:inchikey "ZMRUPTIKESYGQW-UHFFFAOYSA-N";
skos:altLabel "propanolol, waterstofchloride"@nl;
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "propnllHCL";
skos:prefLabel "propranolol-hydrochloride"@nl .
csc:JMMWKPVZQRWMSS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7915;
dbo:casNumber "108-21-4";
dbo:formula "C5H10O2";
dbo:inchi "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3";
dbo:iupacName "propan-2-yl acetate"@en;
dbo:pubchem "7915"^^xsd:int;
dbo:smiles "CC(C)OC(=O)C";
dbp:inchikey "JMMWKPVZQRWMSS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "iC3yactt";
skos:prefLabel "isopropylacetaat"@nl .
csc:OSUHJPCHFDQAIT-GFCCVEGCSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1617113;
dbo:casNumber "100646-51-3";
dbo:formula "C19H17ClN2O4";
dbo:inchi "InChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3/t12-/m1/s1";
dbo:iupacName "ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en;
dbo:pubchem "1617113"^^xsd:int;
dbo:smiles "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl";
dbp:inchikey "OSUHJPCHFDQAIT-GFCCVEGCSA-N";
skos:altLabel "quizalofop-P-ethyl"@nl;
skos:broader csc:CHEMONTID_0004677;
skos:inScheme vlcs:chemische_stof;
skos:notation "quizlfPC2y";
skos:prefLabel "quizalofop-p-ethyl"@nl .
csc:BZLVMXJERCGZMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:15413;
dbo:casNumber "1634-04-4";
dbo:formula "C5H12O";
dbo:inchi "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3";
dbo:iupacName "2-Methoxy-2-methylpropane"@en;
dbo:pubchem "15413"^^xsd:int;
dbo:smiles "CC(C)(C)OC";
dbp:inchikey "BZLVMXJERCGZMT-UHFFFAOYSA-N";
skos:altLabel "methyl-tert.butyl-ether (mtbe)"@nl;
skos:broader csc:CHEMONTID_0001167;
skos:exactMatch wise:CAS_1634-04-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yttC4yEtr";
skos:prefLabel "methyl-tertiair-butylether"@nl .
csc:UHOVQNZJYSORNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3, diverse art) "@nl , "VLAR II (D2) diverse art."@nl , "VLAR II bijl. 4.4.2"@nl , "VLAR II bijl. 2.5.3"@nl;
rdfs:seeAlso compound:241;
dbo:casNumber "54682-86-9" , "71-43-2" , "68956-52-5" , "26181-88-4" , "27271-55-2" , "174973-66-1";
dbo:formula "C6H6";
dbo:inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H";
dbo:iupacName "BENZENE"@en;
dbo:pubchem "241"^^xsd:int;
dbo:smiles "C1=CC=CC=C1";
dbp:inchikey "UHOVQNZJYSORNB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:exactMatch wise:CAS_71-43-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ben";
skos:prefLabel "benzeen"@nl .
csc:GWXLDORMOJMVQZ-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:166969;
dbo:casNumber "13982-30-4";
dbo:formula "Ce";
dbo:inchi "InChI=1S/Ce/i1-1";
dbo:iupacName "cerium-139"@en;
dbo:pubchem "166969"^^xsd:int;
dbo:smiles "[Ce]";
dbp:inchikey "GWXLDORMOJMVQZ-BJUDXGSMSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ce139";
skos:prefLabel "cerium 139"@nl .
csc:WURBVZBTWMNKQT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:39385;
dbo:casNumber "43121-43-3" , "93779-51-2";
dbo:formula "C14H16ClN3O2";
dbo:inchi "InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3";
dbo:iupacName "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one"@en;
dbo:pubchem "39385"^^xsd:int;
dbo:smiles "CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl";
dbp:inchikey "WURBVZBTWMNKQT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tadmfn";
skos:prefLabel "triadimefon"@nl .
csc:XTEGVFVZDVNBPF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6666;
dbo:casNumber "46874-44-6" , "81-04-9";
dbo:formula "C10H8O6S2";
dbo:inchi "InChI=1S/C10H8O6S2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16/h1-6H,(H,11,12,13)(H,14,15,16)";
dbo:iupacName "naphthalene-1,5-disulfonic acid"@en;
dbo:pubchem "6666"^^xsd:int;
dbo:smiles "C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O";
dbp:inchikey "XTEGVFVZDVNBPF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003600;
skos:inScheme vlcs:chemische_stof;
skos:notation "15NafDsfzr";
skos:prefLabel "1,5-naftaleendisulfonzuur"@nl .
csc:KHQDWCKZXLWDNM-KPKJPENVSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6438196;
dbo:casNumber "28219-61-6";
dbo:formula "C14H24O";
dbo:inchi "InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+";
dbo:iupacName "(E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol"@en;
dbo:pubchem "6438196"^^xsd:int;
dbo:smiles "CCC(=CCC1CC=C(C1(C)C)C)CO";
dbp:inchikey "KHQDWCKZXLWDNM-KPKJPENVSA-N";
skos:broader csc:CHEMONTID_0001563;
skos:inScheme vlcs:chemische_stof;
skos:notation "ETCB";
skos:prefLabel "sandacanol"@nl .
csc:PORWMNRCUJJQNO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6327182;
dbo:casNumber "13494-80-9" , "137322-20-4";
dbo:formula "Te";
dbo:inchi "InChI=1S/Te";
dbo:iupacName "TELLURIUM"@en;
dbo:pubchem "6327182"^^xsd:int;
dbo:smiles "[Te]";
dbp:inchikey "PORWMNRCUJJQNO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000431;
skos:inScheme vlcs:chemische_stof;
skos:notation "Te";
skos:prefLabel "tellurium"@nl .
csc:ZSLUVFAKFWKJRC-AHCXROLUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:61724;
dbo:casNumber "14274-82-9";
dbo:formula "Th";
dbo:inchi "InChI=1S/Th/i1-4";
dbo:iupacName "thorium-228"@en;
dbo:pubchem "61724"^^xsd:int;
dbo:smiles "[Th]";
dbp:inchikey "ZSLUVFAKFWKJRC-AHCXROLUSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Th228";
skos:prefLabel "thorium 228"@nl .
csc:GNPUIRFDBYALRI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19591;
dbo:casNumber "3770-48-7";
dbo:formula "C13H11N";
dbo:inchi "InChI=1S/C13H11N/c1-9-5-4-8-12-13(9)10-6-2-3-7-11(10)14-12/h2-8,14H,1H3";
dbo:iupacName "4-Methyl-9H-carbazole"@en;
dbo:pubchem "19591"^^xsd:int;
dbo:smiles "CC1=C2C3=CC=CC=C3NC2=CC=C1";
dbp:inchikey "GNPUIRFDBYALRI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000210;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1ycarbzl";
skos:prefLabel "4-methylcarbazol"@nl .
csc:GKOZUEZYRPOHIO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23924;
dbo:casNumber "22542-08-1" , "7439-88-5";
dbo:formula "Ir";
dbo:inchi "InChI=1S/Ir";
dbo:iupacName "IRIDIUM"@en;
dbo:pubchem "23924"^^xsd:int;
dbo:smiles "[Ir]";
dbp:inchikey "GKOZUEZYRPOHIO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ir";
skos:prefLabel "iridium"@nl .
csc:CNQCVBJFEGMYDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:31192;
dbo:casNumber "22537-19-5";
dbo:formula "Lr";
dbo:inchi "InChI=1S/Lr";
dbo:iupacName "LAWRENCIUM"@en;
dbo:pubchem "31192"^^xsd:int;
dbo:smiles "[Lr]";
dbp:inchikey "CNQCVBJFEGMYDW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Lr";
skos:prefLabel "lawrencium"@nl .
csc:BDCFWIDZNLCTMF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12053;
dbo:casNumber "617-94-7";
dbo:formula "C9H12O";
dbo:inchi "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3";
dbo:iupacName "2-Phenylpropan-2-ol"@en;
dbo:pubchem "12053"^^xsd:int;
dbo:smiles "CC(C)(C1=CC=CC=C1)O";
dbp:inchikey "BDCFWIDZNLCTMF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "2FyiC3ol";
skos:prefLabel "2-fenylisopropanol"@nl .
csc:HAYXDMNJJFVXCI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:104737;
dbo:casNumber "17428-41-0";
dbo:formula "As+5";
dbo:inchi "InChI=1S/As/q+5";
dbo:iupacName "arsenic(+5) cation"@en;
dbo:pubchem "104737"^^xsd:int;
dbo:smiles "[As+5]";
dbp:inchikey "HAYXDMNJJFVXCI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000431;
skos:inScheme vlcs:chemische_stof;
skos:notation "AsV";
skos:prefLabel "arseen (vijfwaardig)"@nl .
csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7204;
dbo:casNumber "11111-14-1" , "11111-13-0" , "50926-55-1" , "94-74-6";
dbo:formula "C9H9ClO3";
dbo:inchi "InChI=1S/C9H9ClO3/c1-6-4-7(10)2-3-8(6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)";
dbo:iupacName "2-(4-chloro-2-methylphenoxy)acetic acid"@en;
dbo:pubchem "7204"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCC(=O)O";
dbp:inchikey "WHKUVVPPKQRRBV-UHFFFAOYSA-N";
skos:altLabel "(4-chloor-2methylfenoxy)azijnzuur"@nl , "mcpa"@nl , "2-methyl-4-chloorfenoxyazijnzuur"@nl;
skos:broader csc:CHEMONTID_0004525;
skos:exactMatch wise:CAS_94-74-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "MCPA";
skos:prefLabel "(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)"@nl .
csc:MFSWTRQUCLNFOM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:50896;
dbo:casNumber "69806-40-2" , "114180-25-5" , "86510-80-7";
dbo:formula "C16H13ClF3NO4";
dbo:inchi "InChI=1S/C16H13ClF3NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3";
dbo:iupacName "methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate"@en;
dbo:pubchem "50896"^^xsd:int;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl";
dbp:inchikey "MFSWTRQUCLNFOM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004677;
skos:inScheme vlcs:chemische_stof;
skos:notation "halOxfC1y";
skos:prefLabel "haloxyfop-methyl"@nl .
csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl;
rdfs:seeAlso compound:6386;
dbo:casNumber "75-65-0";
dbo:formula "C4H10O";
dbo:inchi "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3";
dbo:iupacName "2-Methylpropan-2-ol"@en;
dbo:pubchem "6386"^^xsd:int;
dbo:smiles "CC(C)(C)O";
dbp:inchikey "DKGAVHZHDRPRBM-UHFFFAOYSA-N";
skos:altLabel "tertiair-butanol"@nl;
skos:broader csc:CHEMONTID_0001670;
skos:inScheme vlcs:chemische_stof;
skos:notation "ttC4ol";
skos:prefLabel "t-butanol"@nl .
csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7474;
dbo:casNumber "100-00-5";
dbo:formula "C6H4ClNO2";
dbo:inchi "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H";
dbo:iupacName "1-Chloro-4-nitrobenzene"@en;
dbo:pubchem "7474"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])Cl";
dbp:inchikey "CZGCEKJOLUNIFY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:exactMatch wise:CAS_100-00-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "1Cl4NO2Ben";
skos:prefLabel "1-chloor-4-nitrobenzeen"@nl .
csc:CYRHBNRLQMLULE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:45472;
dbo:casNumber "64589-00-0" , "68928-79-0" , "63936-56-1" , "66169-95-7" , "139749-52-3";
dbo:formula "C12HBr9O";
dbo:inchi "InChI=1S/C12HBr9O/c13-2-1-3(5(15)6(16)4(2)14)22-12-10(20)8(18)7(17)9(19)11(12)21/h1H";
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene"@en;
dbo:pubchem "45472"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br";
dbp:inchikey "CYRHBNRLQMLULE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001845;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "nonabroomdifenylether"@nl .
csc:IUYHQGMDSZOPDZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:41541;
dbo:casNumber "55702-46-0" , "25323-68-6";
dbo:formula "C12H7Cl3";
dbo:inchi "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H";
dbo:iupacName "1,2,3-trichloro-4-phenylbenzene"@en;
dbo:pubchem "41541"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl";
dbp:inchikey "IUYHQGMDSZOPDZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB21";
skos:prefLabel "2,3,4-trichloorbifenyl"@nl .
csc:RTDCJKARQCRONF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:25418;
dbo:casNumber "10595-95-6";
dbo:formula "C3H8N2O";
dbo:inchi "InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3";
dbo:iupacName "N-ethyl-N-methylnitrous amide"@en;
dbo:pubchem "25418"^^xsd:int;
dbo:smiles "CCN(C)N=O";
dbp:inchikey "RTDCJKARQCRONF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004777;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yC2yNOAe";
skos:prefLabel "methylethylnitrosamine"@nl .
csc:CEAZRRDELHUEMR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:3467;
dbo:casNumber "1403-66-3";
dbo:formula "C21H43N5O7";
dbo:inchi "InChI=1S/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3";
dbo:iupacName "2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol"@en;
dbo:pubchem "3467"^^xsd:int;
dbo:smiles "CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC";
dbp:inchikey "CEAZRRDELHUEMR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001675;
skos:inScheme vlcs:chemische_stof;
skos:notation "gentmcne";
skos:prefLabel "gentamycine"@nl .
csc:JZFZCLFEPXCRCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:93442;
dbo:casNumber "74472-40-5";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-5-2-1-3-6(14)9(5)10-7(15)4-8(16)11(17)12(10)18/h1-4H";
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene"@en;
dbo:pubchem "93442"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "JZFZCLFEPXCRCA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB145";
skos:prefLabel "2,2',3,4,6,6'-hexachloorbifenyl"@nl .
csc:YPXOPAFVVHXQDP-ZZEZOPTASA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5809936;
dbo:casNumber "3118-97-6";
dbo:formula "C18H16N2O";
dbo:inchi "InChI=1S/C18H16N2O/c1-12-7-9-16(13(2)11-12)19-20-18-15-6-4-3-5-14(15)8-10-17(18)21/h3-11,19H,1-2H3/b20-18-";
dbo:iupacName "['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one']"@en;
dbo:pubchem "5809936"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)C";
dbp:inchikey "YPXOPAFVVHXQDP-ZZEZOPTASA-N";
skos:altLabel "c.i. solvent orange 7"@nl;
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "cisoe7";
skos:prefLabel "C.I. Solvent Orange 7"@nl .
csc:XOXHILFPRYWFOD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6634;
dbo:casNumber "80-32-0";
dbo:formula "C10H9ClN4O2S";
dbo:inchi "InChI=1S/C10H9ClN4O2S/c11-9-5-6-10(14-13-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)";
dbo:iupacName "4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide"@en;
dbo:pubchem "6634"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl";
dbp:inchikey "XOXHILFPRYWFOD-UHFFFAOYSA-N";
skos:altLabel "sulfachloorpyridazine"@nl;
skos:broader csc:CHEMONTID_0001925;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulfClprdzne";
skos:prefLabel "sulfachloropyridazine"@nl .
csc:METKIMKYRPQLGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:2249;
dbo:casNumber "60966-51-0" , "29122-68-7";
dbo:formula "C14H22N2O3";
dbo:inchi "InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)";
dbo:iupacName "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide"@en;
dbo:pubchem "2249"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O";
dbp:inchikey "METKIMKYRPQLGS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002363;
skos:exactMatch wise:CAS_29122-68-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "atnll";
skos:prefLabel "atenolol"@nl .
csc:WCIMWHNSWLLELS-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:14663;
dbo:casNumber "2276-90-6" , "15845-98-4" , "1225-20-3";
dbo:formula "C11H8I3N2NaO4";
dbo:inchi "InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1";
dbo:iupacName "sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate"@en;
dbo:pubchem "14663"^^xsd:int;
dbo:smiles "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]";
dbp:inchikey "WCIMWHNSWLLELS-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004361;
skos:inScheme vlcs:chemische_stof;
skos:notation "jotlmnzr";
skos:prefLabel "jotalaminezuur"@nl .
csc:HSSBORCLYSCBJR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8630;
dbo:casNumber "133-90-4";
dbo:formula "C7H5Cl2NO2";
dbo:inchi "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)";
dbo:iupacName "3-Amino-2,5-dichlorobenzoic acid"@en;
dbo:pubchem "8630"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl";
dbp:inchikey "HSSBORCLYSCBJR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002611;
skos:inScheme vlcs:chemische_stof;
skos:notation "3Ao25DClbzez";
skos:prefLabel "3-amino-2,5-dichloor-benzoezuur"@nl .
csc:MTCPZNVSDFCBBE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:91662;
dbo:casNumber "56558-16-8";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H";
dbo:iupacName "1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene"@en;
dbo:pubchem "91662"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl";
dbp:inchikey "MTCPZNVSDFCBBE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB104";
skos:prefLabel "2,2',4,6,6'-pentachloorbifenyl"@nl .
csc:JGSARLDLIJGVTE-MBNYWOFBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5904;
dbo:casNumber "61-33-6";
dbo:formula "C16H18N2O4S";
dbo:inchi "InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1";
dbo:iupacName "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid"@en;
dbo:pubchem "5904"^^xsd:int;
dbo:smiles "CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C";
dbp:inchikey "JGSARLDLIJGVTE-MBNYWOFBSA-N";
skos:altLabel "benzylpenicilline"@nl , "penicilline g"@nl;
skos:broader csc:CHEMONTID_0004830;
skos:inScheme vlcs:chemische_stof;
skos:notation "penclnG";
skos:prefLabel "penicilline G"@nl .
csc:QORAVNMWUNPXAO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:17097;
dbo:casNumber "2437-79-8" , "11104-29-3" , "53469-21-9";
dbo:formula "C12H6Cl4";
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H";
dbo:iupacName "2,4-dichloro-1-(2,4-dichlorophenyl)benzene"@en;
dbo:pubchem "17097"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl";
dbp:inchikey "QORAVNMWUNPXAO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB47";
skos:prefLabel "2,2',4,4'-tetrachloorbifenyl"@nl .
csc:VWVSBHGCDBMOOT-OKPPOTDYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9793;
dbo:casNumber "382-67-2";
dbo:formula "C22H29FO4";
dbo:inchi "InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15?,16?,18?,19?,20?,21?,22+/m1/s1";
dbo:iupacName "(9R,16R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one"@en;
dbo:pubchem "9793"^^xsd:int;
dbo:smiles "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C";
dbp:inchikey "VWVSBHGCDBMOOT-OKPPOTDYSA-N";
skos:broader csc:CHEMONTID_0003095;
skos:inScheme vlcs:chemische_stof;
skos:notation "desOxmtsn";
skos:prefLabel "desoximetason"@nl .
csc:OQDXASJSCOTNQS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:9146;
dbo:casNumber "203-33-8" , "56832-73-6";
dbo:formula "C20H12";
dbo:inchi "InChI=1S/C20H12/c1-2-8-15-13(6-1)12-14-7-5-11-17-16-9-3-4-10-18(16)20(15)19(14)17/h1-12H";
dbo:iupacName "pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene"@en;
dbo:pubchem "9146"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC=C54";
dbp:inchikey "OQDXASJSCOTNQS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000018;
skos:inScheme vlcs:chemische_stof;
skos:notation "BaF";
skos:prefLabel "benzo(a)fluorantheen"@nl .
csc:PHVNLLCAQHGNKU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:41385;
dbo:casNumber "55290-64-7";
dbo:formula "C6H10O4S2";
dbo:inchi "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3";
dbo:iupacName "2,3-dimethyl-5,6-dihydro-1,4-dithiine 1,1,4,4-tetraoxide"@en;
dbo:pubchem "41385"^^xsd:int;
dbo:smiles "CC1=C(S(=O)(=O)CCS1(=O)=O)C";
dbp:inchikey "PHVNLLCAQHGNKU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000505;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dmtpn";
skos:prefLabel "dimethipin"@nl .
csc:VLHZQNGNJQYAIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:29777;
dbo:casNumber "19781-73-8";
dbo:formula "C23H46";
dbo:inchi "InChI=1S/C23H46/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h23H,2-22H2,1H3";
dbo:iupacName "HEPTADECYLCYCLOHEXANE"@en;
dbo:pubchem "29777"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCC1CCCCC1";
dbp:inchikey "VLHZQNGNJQYAIZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001016;
skos:inScheme vlcs:chemische_stof;
skos:notation "nC17yccC6a";
skos:prefLabel "n-heptadecylcyclohexaan"@nl .
csc:GVEDOIATHPCYGS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:11931;
dbo:casNumber "612-75-9";
dbo:formula "C14H14";
dbo:inchi "InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3";
dbo:iupacName "1-methyl-3-(3-methylphenyl)benzene"@en;
dbo:pubchem "11931"^^xsd:int;
dbo:smiles "CC1=CC(=CC=C1)C2=CC=CC(=C2)C";
dbp:inchikey "GVEDOIATHPCYGS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000041;
skos:inScheme vlcs:chemische_stof;
skos:notation "33DC1ybiFy";
skos:prefLabel "3,3'-dimethylbifenyl"@nl .
csc:LPDSNGAFAJYVKH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3033870;
dbo:casNumber "1331-47-1";
dbo:formula "C12H10Cl2N2";
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-11-9(5-6-10(16)12(11)14)7-1-3-8(15)4-2-7/h1-6H,15-16H2";
dbo:iupacName "4-(4-aminophenyl)-2,3-dichloroaniline"@en;
dbo:pubchem "3033870"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N";
dbp:inchikey "LPDSNGAFAJYVKH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003955;
skos:inScheme vlcs:chemische_stof;
skos:notation "DClbzdne";
skos:prefLabel "dichloorbenzidine"@nl .
csc:HWCKGOZZJDHMNC-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6285;
dbo:casNumber "65129-07-9" , "71-91-0" , "65129-11-5";
dbo:formula "C8H20BrN";
dbo:inchi "InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "tetraethylazanium bromide"@en;
dbo:pubchem "6285"^^xsd:int;
dbo:smiles "CC[N+](CC)(CC)CC.[Br-]";
dbp:inchikey "HWCKGOZZJDHMNC-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4C2yeNHBr";
skos:prefLabel "tetraethylammonium bromide"@nl .
csc:XOKCJXZZNAUIQN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:414;
dbo:casNumber "79581-34-3" , "37096-14-3" , "27323-64-4" , "34834-67-8";
dbo:formula "C10H12N2O2";
dbo:inchi "InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3";
dbo:iupacName "3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one"@en;
dbo:pubchem "414"^^xsd:int;
dbo:smiles "CN1C(CC(C1=O)O)C2=CN=CC=C2";
dbp:inchikey "XOKCJXZZNAUIQN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001975;
skos:inScheme vlcs:chemische_stof;
skos:notation "HOxctnne";
skos:prefLabel "hydroxycotinine"@nl .
csc:CIOAGBVUUVVLOB-OIOBTWANSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5464271;
dbo:casNumber "13967-73-2";
dbo:formula "Sr";
dbo:inchi "InChI=1S/Sr/i1-3";
dbo:iupacName "strontium-85"@en;
dbo:pubchem "5464271"^^xsd:int;
dbo:smiles "[Sr]";
dbp:inchikey "CIOAGBVUUVVLOB-OIOBTWANSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:inScheme vlcs:chemische_stof;
skos:notation "Sr85";
skos:prefLabel "strontium 85"@nl .
csc:ZIBGPFATKBEMQZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8172;
dbo:casNumber "112-27-6" , "118662-30-9" , "121202-29-7" , "676-18-6";
dbo:formula "C6H14O4";
dbo:inchi "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2";
dbo:iupacName "2-[2-(2-hydroxyethoxy)ethoxy]ethanol"@en;
dbo:pubchem "8172"^^xsd:int;
dbo:smiles "C(COCCOCCO)O";
dbp:inchikey "ZIBGPFATKBEMQZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003338;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC2yegcl";
skos:prefLabel "triethyleenglycol"@nl .
csc:OQZCSNDVOWYALR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91677;
dbo:casNumber "89286-81-7" , "61213-25-0";
dbo:formula "C12H10Cl2F3NO";
dbo:inchi "InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2";
dbo:iupacName "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one"@en;
dbo:pubchem "91677"^^xsd:int;
dbo:smiles "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl";
dbp:inchikey "OQZCSNDVOWYALR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002336;
skos:inScheme vlcs:chemische_stof;
skos:notation "flurcrdn";
skos:prefLabel "flurochloridon"@nl .
csc:MLICVSDCCDDWMD-KVVVOXFISA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6433168;
dbo:casNumber "143-18-0";
dbo:formula "C18H33KO2";
dbo:inchi "InChI=1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;";
dbo:iupacName "potassium (Z)-octadec-9-enoate"@en;
dbo:pubchem "6433168"^^xsd:int;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]";
dbp:inchikey "MLICVSDCCDDWMD-KVVVOXFISA-M";
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "Kolat";
skos:prefLabel "kaliumoleaat"@nl .
csc:VRXISYRYNOUKHO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3083763;
dbo:casNumber "2395-00-8";
dbo:formula "C8H2F15KO2";
dbo:inchi "InChI=1S/C8HF15O2.K.H/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;-1";
dbo:iupacName "potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en;
dbo:pubchem "3083763"^^xsd:int;
dbo:smiles "[H-].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.[K+]";
dbp:inchikey "VRXISYRYNOUKHO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003962;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFOA_K";
skos:prefLabel "perfluoroctaanzuur, kaliumzout"@nl .
csc:QNDHIRFIMVNHBN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:22286931;
dbo:casNumber "2355-31-9";
dbo:formula "C11H6F17NO4S";
dbo:inchi "InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)";
dbo:iupacName "2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]acetic acid"@en;
dbo:pubchem "22286931"^^xsd:int;
dbo:smiles "CN(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 "QNDHIRFIMVNHBN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003960;
skos:inScheme vlcs:chemische_stof;
skos:notation "NmeFOSAA" , "MePFOSAA";
skos:prefLabel "N-methylperfluoroctaansulfonamido-azijnzuur"@nl .
csc:IAEGWXHKWJGQAZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:26808;
dbo:casNumber "14667-55-1" , "124765-77-1";
dbo:formula "C7H10N2";
dbo:inchi "InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3";
dbo:iupacName "2,3,5-Trimethylpyrazine"@en;
dbo:pubchem "26808"^^xsd:int;
dbo:smiles "CC1=CN=C(C(=N1)C)C";
dbp:inchikey "IAEGWXHKWJGQAZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000067;
skos:inScheme vlcs:chemische_stof;
skos:notation "235TC1yprzne";
skos:prefLabel "2,3,5-trimethylpyrazine"@nl .
csc:FLASNYPZGWUPSU-SICDJOISSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:71853;
dbo:casNumber "57285-05-9" , "9012-76-4";
dbo:formula "C56H103N9O39";
dbo:inchi "InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1";
dbo:iupacName "methyl N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate"@en;
dbo:pubchem "71853"^^xsd:int;
dbo:smiles "COC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)N)OC3C(OC(C(C3O)N)O)CO)CO)CO)OC4C(C(C(C(O4)CO)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)O)N)O)N)O)N)O)N)O)N)O)N)O";
dbp:inchikey "FLASNYPZGWUPSU-SICDJOISSA-N";
skos:broader csc:CHEMONTID_0000198;
skos:inScheme vlcs:chemische_stof;
skos:notation "chitsn";
skos:prefLabel "chitosan"@nl .
csc:DKNWSYNQZKUICI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:2130;
dbo:casNumber "768-94-5";
dbo:formula "C10H17N";
dbo:inchi "InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2";
dbo:iupacName "adamantan-1-amine"@en;
dbo:pubchem "2130"^^xsd:int;
dbo:smiles "C1C2CC3CC1CC(C2)(C3)N";
dbp:inchikey "DKNWSYNQZKUICI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "amtdne";
skos:prefLabel "amantadine"@nl .
csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7950;
dbo:casNumber "63697-19-8" , "108-70-3";
dbo:formula "C6H3Cl3";
dbo:inchi "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H";
dbo:iupacName "1,3,5-Trichlorobenzene"@en;
dbo:pubchem "7950"^^xsd:int;
dbo:smiles "C1=C(C=C(C=C1Cl)Cl)Cl";
dbp:inchikey "XKEFYDZQGKAQCN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:exactMatch wise:CAS_108-70-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "135TClBen";
skos:prefLabel "1,3,5-trichloorbenzeen"@nl .
csc:LTQSAUHRSCMPLD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:13707;
dbo:casNumber "947-33-1" , "12643-22-0" , "950-10-7";
dbo:formula "C8H16NO3PS2";
dbo:inchi "InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3";
dbo:iupacName "N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine"@en;
dbo:pubchem "13707"^^xsd:int;
dbo:smiles "CCOP(=O)(N=C1SCC(S1)C)OCC";
dbp:inchikey "LTQSAUHRSCMPLD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000408;
skos:inScheme vlcs:chemische_stof;
skos:notation "meffln";
skos:prefLabel "mefosfolan"@nl .
csc:LIPRQQHINVWJCH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:171378;
dbo:casNumber "54839-24-6";
dbo:formula "C7H14O3";
dbo:inchi "InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3";
dbo:iupacName "1-ethoxypropan-2-yl acetate"@en;
dbo:pubchem "171378"^^xsd:int;
dbo:smiles "CCOCC(C)OC(=O)C";
dbp:inchikey "LIPRQQHINVWJCH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "PGEEA";
skos:prefLabel "propyleenglycolmonoethyletheracetaat"@nl .
csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:33;
dbo:casNumber "107-20-0";
dbo:formula "C2H3ClO";
dbo:inchi "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2";
dbo:iupacName "2-CHLOROACETALDEHYDE"@en;
dbo:pubchem "33"^^xsd:int;
dbo:smiles "C(C=O)Cl";
dbp:inchikey "QSKPIOLLBIHNAC-UHFFFAOYSA-N";
skos:altLabel "chlooraceetaldehyde "@nl;
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClacAh";
skos:prefLabel "chlooraceetaldehyde"@nl .
csc:VZCCETWTMQHEPK-QNEBEIHSSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5280933;
dbo:casNumber "506-26-3";
dbo:formula "C18H30O2";
dbo:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-";
dbo:iupacName "(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid"@en;
dbo:pubchem "5280933"^^xsd:int;
dbo:smiles "CCCCCC=CCC=CCC=CCCCCC(=O)O";
dbp:inchikey "VZCCETWTMQHEPK-QNEBEIHSSA-N";
skos:broader csc:CHEMONTID_0000504;
skos:inScheme vlcs:chemische_stof;
skos:notation "glnlzr";
skos:prefLabel "gamma-linoleenzuur"@nl .
csc:JUIQOABNSLTJSW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16867;
dbo:casNumber "2346-00-1";
dbo:formula "C4H7NS";
dbo:inchi "InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3";
dbo:iupacName "2-methyl-4,5-dihydro-1,3-thiazole"@en;
dbo:pubchem "16867"^^xsd:int;
dbo:smiles "CC1=NCCS1";
dbp:inchikey "JUIQOABNSLTJSW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000229;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y2tazlne";
skos:prefLabel "2-methyl-2-thiazoline"@nl .
csc:RGLYKWWBQGJZGM-ISLYRVAYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:448537;
dbo:casNumber "8028-09-9" , "8026-45-7" , "6898-97-1" , "8053-00-7" , "22610-99-7" , "56-53-1" , "8049-42-1" , "8030-34-0";
dbo:formula "C18H20O2";
dbo:inchi "InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+";
dbo:iupacName "['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol']"@en;
dbo:pubchem "448537"^^xsd:int;
dbo:smiles "CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O";
dbp:inchikey "RGLYKWWBQGJZGM-ISLYRVAYSA-N";
skos:broader csc:CHEMONTID_0000253;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2ysbsl";
skos:prefLabel "diethylstilboestrol"@nl .
csc:PMSYHBINVYHTNN-ONNFQVAWSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6436020;
dbo:casNumber "131-72-6" , "49794-90-3";
dbo:formula "C18H24N2O6";
dbo:inchi "InChI=1S/C18H24N2O6/c1-3-5-6-7-8-9-11-14-12-15(19(22)23)13-16(20(24)25)18(14)26-17(21)10-4-2/h4,10,12-13H,3,5-9,11H2,1-2H3/b10-4+";
dbo:iupacName "(2,4-dinitro-6-octylphenyl) (E)-but-2-enoate"@en;
dbo:pubchem "6436020"^^xsd:int;
dbo:smiles "CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC";
dbp:inchikey "PMSYHBINVYHTNN-ONNFQVAWSA-N";
skos:broader csc:CHEMONTID_0002319;
skos:inScheme vlcs:chemische_stof;
skos:notation "meptdncp";
skos:prefLabel "meptyldinocap"@nl .
csc:QBDSZLJBMIMQRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11742;
dbo:casNumber "599-64-4" , "28261-59-8";
dbo:formula "C15H16O";
dbo:inchi "InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3";
dbo:iupacName "4-(2-phenylpropan-2-yl)phenol"@en;
dbo:pubchem "11742"^^xsd:int;
dbo:smiles "CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O";
dbp:inchikey "QBDSZLJBMIMQRS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "4cumFol";
skos:prefLabel "4-cumylfenol"@nl .
csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:9411;
dbo:casNumber "314-40-9";
dbo:formula "C9H13BrN2O2";
dbo:inchi "InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)";
dbo:iupacName "5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione"@en;
dbo:pubchem "9411"^^xsd:int;
dbo:smiles "CCC(C)N1C(=O)C(=C(NC1=O)C)Br";
dbp:inchikey "CTSLUCNDVMMDHG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001893;
skos:exactMatch wise:CAS_314-40-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "bromcl";
skos:prefLabel "bromacil"@nl .
csc:WVDDGKGOMKODPV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:244;
dbo:casNumber "100-51-6" , "1336-27-2" , "185532-71-2";
dbo:formula "C7H8O";
dbo:inchi "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2";
dbo:iupacName "phenylmethanol"@en;
dbo:pubchem "244"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)CO";
dbp:inchikey "WVDDGKGOMKODPV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000033;
skos:inScheme vlcs:chemische_stof;
skos:notation "aHOxTol";
skos:prefLabel "alfa-hydroxytolueen"@nl .
csc:ZNRLMGFXSPUZNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8981;
dbo:casNumber "147-47-7" , "52038-43-4" , "26780-96-1" , "55069-42-6";
dbo:formula "C12H15N";
dbo:inchi "InChI=1S/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3";
dbo:iupacName "2,2,4-trimethyl-1H-quinoline"@en;
dbo:pubchem "8981"^^xsd:int;
dbo:smiles "CC1=CC(NC2=CC=CC=C12)(C)C";
dbp:inchikey "ZNRLMGFXSPUZNR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001716;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DH224TC1yq";
skos:prefLabel "1,2-dihydro-2,2,4-trimethylquinoline"@nl .
csc:CHNUNORXWHYHNE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:29732;
dbo:casNumber "19666-30-9";
dbo:formula "C15H18Cl2N2O3";
dbo:inchi "InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3";
dbo:iupacName "5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one"@en;
dbo:pubchem "29732"^^xsd:int;
dbo:smiles "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl";
dbp:inchikey "CHNUNORXWHYHNE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:exactMatch wise:CAS_19666-30-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "OaDazn";
skos:prefLabel "oxadiazon"@nl .
csc:IJDNQMDRQITEOD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7843;
dbo:casNumber "68514-31-8" , "68551-21-3" , "106-97-8" , "68476-42-6" , "68527-17-3" , "68475-59-2";
dbo:formula "C4H10";
dbo:inchi "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3";
dbo:iupacName "BUTANE"@en;
dbo:pubchem "7843"^^xsd:int;
dbo:smiles "CCCC";
dbp:inchikey "IJDNQMDRQITEOD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C4a";
skos:prefLabel "butaan"@nl .
csc:YOVRGSHRZRJTLZ-HZPDHXFCSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:108207;
dbo:casNumber "56354-06-4";
dbo:formula "C21H28O4";
dbo:inchi "InChI=1S/C21H28O4/c1-4-5-6-7-13-10-17(22)19-15-12-14(20(23)24)8-9-16(15)21(2,3)25-18(19)11-13/h10-12,15-16,22H,4-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1";
dbo:iupacName "(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid"@en;
dbo:pubchem "108207"^^xsd:int;
dbo:smiles "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O";
dbp:inchikey "YOVRGSHRZRJTLZ-HZPDHXFCSA-N";
skos:broader csc:CHEMONTID_0003522;
skos:inScheme vlcs:chemische_stof;
skos:notation "m11n9cbxd9TH";
skos:prefLabel "(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol"@nl .
csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6129;
dbo:casNumber "27636-33-5" , "51274-03-4" , "63-25-2" , "11095-11-7" , "52001-89-5" , "11130-47-5" , "3197-92-0";
dbo:formula "C12H11NO2";
dbo:inchi "InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)";
dbo:iupacName "naphthalen-1-yl N-methylcarbamate"@en;
dbo:pubchem "6129"^^xsd:int;
dbo:smiles "CNC(=O)OC1=CC=CC2=CC=CC=C21";
dbp:inchikey "CVXBEEMKQHEXEN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:exactMatch wise:CAS_63-25-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "carbrl";
skos:prefLabel "carbaryl"@nl .
csc:BULHJTXRZFEUDQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:38307;
dbo:casNumber "39638-32-9";
dbo:formula "C6H12Cl2O";
dbo:inchi "InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3";
dbo:iupacName "2-chloro-2-(2-chloropropan-2-yloxy)propane"@en;
dbo:pubchem "38307"^^xsd:int;
dbo:smiles "CC(C)(OC(C)(C)Cl)Cl";
dbp:inchikey "BULHJTXRZFEUDQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "bis2CliC3yEt";
skos:prefLabel "bis(2-chloorisopropyl)ether"@nl .
csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso compound:51043;
dbo:casNumber "70362-50-4";
dbo:formula "C12H6Cl4";
dbo:inchi "InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H";
dbo:iupacName "1,2,3-trichloro-5-(4-chlorophenyl)benzene"@en;
dbo:pubchem "51043"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl";
dbp:inchikey "BHWVLZJTVIYLIV-UHFFFAOYSA-N";
skos:altLabel "pcb 81"@nl , "3,4,4',5-tetrachloorbifenyl (pcb81)"@nl , "3,4,4',5-tetrachlorobifenyl"@nl;
skos:broader csc:CHEMONTID_0003030;
skos:exactMatch wise:CAS_70362-50-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB81";
skos:prefLabel "PCB 81"@nl .
csc:SIXSYDAISGFNSX-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:107673;
dbo:casNumber "13967-63-0";
dbo:formula "Sc";
dbo:inchi "InChI=1S/Sc/i1+1";
dbo:iupacName "scandium-46"@en;
dbo:pubchem "107673"^^xsd:int;
dbo:smiles "[Sc]";
dbp:inchikey "SIXSYDAISGFNSX-OUBTZVSYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Sc46";
skos:prefLabel "scandium 46"@nl .
csc:GGWBHVILAJZWKJ-KJEVSKRMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3033332;
dbo:casNumber "71130-06-8" , "66357-35-5" , "66357-59-3";
dbo:formula "C13H23ClN4O3S";
dbo:inchi "InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;";
dbo:iupacName "[\"(E)-N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride\", \"N-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethene-1,1-diamine hydrochloride\"]"@en;
dbo:pubchem "3033332"^^xsd:int;
dbo:smiles "CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl";
dbp:inchikey "GGWBHVILAJZWKJ-KJEVSKRMSA-N";
skos:broader csc:CHEMONTID_0003899;
skos:inScheme vlcs:chemische_stof;
skos:notation "rantdne";
skos:prefLabel "ranitidine"@nl .
csc:ARXHIJMGSIYYRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:38015;
dbo:casNumber "38380-03-9";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-2-1-6(5-10(7)16)11-8(14)3-4-9(15)12(11)17/h1-5H";
dbo:iupacName "1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene"@en;
dbo:pubchem "38015"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "ARXHIJMGSIYYRZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB110";
skos:prefLabel "2,3,3',4',6-pentachloorbifenyl"@nl .
csc:MSJLMQTXVKCUCD-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7132;
dbo:casNumber "93-23-2";
dbo:formula "C21H32BrN";
dbo:inchi "InChI=1S/C21H32N.BrH/c1-2-3-4-5-6-7-8-9-10-13-17-22-18-16-20-14-11-12-15-21(20)19-22;/h11-12,14-16,18-19H,2-10,13,17H2,1H3;1H/q+1;/p-1";
dbo:iupacName "2-dodecylisoquinolin-2-ium bromide"@en;
dbo:pubchem "7132"^^xsd:int;
dbo:smiles "CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]";
dbp:inchikey "MSJLMQTXVKCUCD-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0002566;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "dodecylisoquinolinium"@nl .
csc:DFBKLUNHFCTMDC-PICURKEMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:969491;
dbo:casNumber "128-10-9" , "60-57-1";
dbo:formula "C12H8Cl6O";
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-";
dbo:iupacName "(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene"@en;
dbo:pubchem "969491"^^xsd:int;
dbo:smiles "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "DFBKLUNHFCTMDC-PICURKEMSA-N";
skos:broader csc:CHEMONTID_0001549;
skos:exactMatch wise:CAS_60-57-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "dieldn";
skos:prefLabel "dieldrin"@nl .
csc:DQJCHOQLCLEDLL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:39040;
dbo:casNumber "41814-78-2";
dbo:formula "C9H7N3S";
dbo:inchi "InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3";
dbo:iupacName "8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole"@en;
dbo:pubchem "39040"^^xsd:int;
dbo:smiles "CC1=C2C(=CC=C1)SC3=NN=CN23";
dbp:inchikey "DQJCHOQLCLEDLL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004201;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tcczl";
skos:prefLabel "tricyclazool"@nl .
csc:LZIPBJBQQPZLOR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:228289;
dbo:casNumber "6315-52-2";
dbo:formula "C16H18O6S2";
dbo:inchi "InChI=1S/C16H18O6S2/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3";
dbo:iupacName "2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate"@en;
dbo:pubchem "228289"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C";
dbp:inchikey "LZIPBJBQQPZLOR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004309;
skos:inScheme vlcs:chemische_stof;
skos:notation "DpTolsfnC2ye";
skos:prefLabel "di-p-tolueensulfonaat-ethyleenglycol"@nl .
cosc:water rdf:type skos:Collection;
skos:inScheme vlcs:chemische_stof;
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csc:ZXVONLUNISGICL-UHFFFAOYSA-N , csc:JOOMJVFZQRQWKR-UHFFFAOYSA-N , csc:STJLVHWMYQXCPB-UHFFFAOYSA-N , csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N , csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N , csc:RLLPVAHGXHCWKJ-HKUYNNGSSA-N , csc:MZZBPDKVEFVLFF-UHFFFAOYSA-N , csc:MCWXGJITAZMZEV-UHFFFAOYSA-N , csc:SWFNPENEBHAHEB-UHFFFAOYSA-N , csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N , csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N , csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N , csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N , csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N , csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N , csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N , csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N , csc:YBGZDTIWKVFICR-JLHYYAGUSA-N , csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N , csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N , csc:PAAZPARNPHGIKF-UHFFFAOYSA-N , csc:ISEUFVQQFVOBCY-UHFFFAOYSA-N , csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N , csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N , csc:RZXIRSKYBISPGF-UHFFFAOYSA-N , csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N , csc:JLYFCTQDENRSOL-UHFFFAOYSA-N , csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N , csc:SXDBWCPKPHAZSM-UHFFFAOYSA-M , csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N , csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N , csc:HCHKCACWOHOZIP-UHFFFAOYSA-N , csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N , csc:FALCMQXTWHPRIH-UHFFFAOYSA-N , csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-M , csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N , csc:WUOBERCRSABHOT-UHFFFAOYSA-N , csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N , csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N , csc:XEEYBQQBJWHFJM-UHFFFAOYSA-N , csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N , csc:UOAMTSKGCBMZTC-UHFFFAOYSA-N , csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N , csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:BVKZGUZCCUSVTD-UHFFFAOYSA-L , csc:VHHHONWQHHHLTI-UHFFFAOYSA-N , csc:BIWJNBZANLAXMG-UHFFFAOYSA-N , csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N , csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N , csc:SNGREZUHAYWORS-UHFFFAOYSA-N , csc:UOORRWUZONOOLO-OWOJBTEDSA-N , csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N , csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N , csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:LFULEKSKNZEWOE-UHFFFAOYSA-N , csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N , csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N , csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N , csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N , csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N , csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N , csc:LLYXJBROWQDVMI-UHFFFAOYSA-N , csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N , csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N , csc:JNTHRSHGARDABO-UHFFFAOYSA-N , csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N , csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N , csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N , csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N , csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N , csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N , csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N , csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N , csc:XDDAORKBJWWYJS-UHFFFAOYSA-N , csc:NINIDFKCEFEMDL-UHFFFAOYSA-N , csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N , csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N , csc:MXWJVTOOROXGIU-UHFFFAOYSA-N , csc:SUSRORUBZHMPCO-UHFFFAOYSA-N , csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N , csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:YACLQRRMGMJLJV-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N , csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N , csc:CAHQGWAXKLQREW-UHFFFAOYSA-N , csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M , csc:CJJOSEISRRTUQB-UHFFFAOYSA-N , csc:PBKONEOXTCPAFI-UHFFFAOYSA-N , csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N , csc:WLFDQEVORAMCIM-UHFFFAOYSA-N , csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N , csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N , csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N , csc:HXGDTGSAIMULJN-UHFFFAOYSA-N , csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N , csc:BZLVMXJERCGZMT-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N , csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N , csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:HFZWRUODUSTPEG-UHFFFAOYSA-N;
skos:prefLabel "Chemische stoffen die in water gemeten worden."@nl .
csc:IFCBMPOMNSORDG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:21963;
dbo:casNumber "5737-13-3";
dbo:formula "C15H8O";
dbo:inchi "InChI=1S/C15H8O/c16-15-11-5-1-3-9-7-8-10-4-2-6-12(15)14(10)13(9)11/h1-8H";
dbo:iupacName "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-one"@en;
dbo:pubchem "21963"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C(=O)C4=CC=CC(=C43)C=C2";
dbp:inchikey "IFCBMPOMNSORDG-UHFFFAOYSA-N";
skos:altLabel "4h-cyclopenta[d,e,f]fenantreen-4-on"@nl;
skos:broader csc:CHEMONTID_0000025;
skos:inScheme vlcs:chemische_stof;
skos:notation "4HccPedefFen";
skos:prefLabel "4H-cyclopenta[d,e,f]fenantreen-4-on"@nl .
csc:WATWJIUSRGPENY-BKFZFHPZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6335314;
dbo:casNumber "13968-50-8";
dbo:formula "Sb";
dbo:inchi "InChI=1S/Sb/i1+5";
dbo:iupacName "antimony-127"@en;
dbo:pubchem "6335314"^^xsd:int;
dbo:smiles "[Sb]";
dbp:inchikey "WATWJIUSRGPENY-BKFZFHPZSA-N";
skos:broader csc:CHEMONTID_0000431;
skos:inScheme vlcs:chemische_stof;
skos:notation "Sb127";
skos:prefLabel "antimoon 127"@nl .
csc:HJIQVKXMQOLFFS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3048787;
dbo:casNumber "63989-70-8" , "1330-43-4";
dbo:formula "B4H14Na2O14";
dbo:inchi "InChI=1S/4B.2Na.7H2O.7O/h;;;;;;7*1H2;;;;;;;/q4*+3;2*+1;;;;;;;;7*-2";
dbo:iupacName "disodium; boron(+3) cation; oxygen(-2) anion; heptahydrate"@en;
dbo:pubchem "3048787"^^xsd:int;
dbo:smiles "[B+3].[B+3].[B+3].[B+3].O.O.O.O.O.O.O.[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Na+].[Na+]";
dbp:inchikey "HJIQVKXMQOLFFS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000534;
skos:inScheme vlcs:chemische_stof;
skos:notation "Na2B4O7";
skos:prefLabel "dinatriumtetraboraat"@nl .
csc:BDAGIHXWWSANSR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:284;
dbo:casNumber "15907-03-6" , "8006-93-7" , "7056-83-9" , "64-18-6" , "82069-14-5";
dbo:formula "CH2O2";
dbo:inchi "InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)";
dbo:iupacName "formic acid"@en;
dbo:pubchem "284"^^xsd:int;
dbo:smiles "C(=O)O";
dbp:inchikey "BDAGIHXWWSANSR-UHFFFAOYSA-N";
skos:altLabel "methaanzuur"@nl , "mierenzuur "@nl;
skos:broader csc:CHEMONTID_0001205;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1azr";
skos:prefLabel "mierenzuur"@nl .
csc:RLQJEEJISHYWON-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:9834513;
dbo:casNumber "158062-67-0";
dbo:formula "C9H6F3N3O";
dbo:inchi "InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)";
dbo:iupacName "N-(cyanomethyl)-4-(trifluoromethyl)pyridine-3-carboxamide"@en;
dbo:pubchem "9834513"^^xsd:int;
dbo:smiles "C1=CN=CC(=C1C(F)(F)F)C(=O)NCC#N";
dbp:inchikey "RLQJEEJISHYWON-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002253;
skos:inScheme vlcs:chemische_stof;
skos:notation "floncmd";
skos:prefLabel "flonicamid"@nl .
csc:KWYUFKZDYYNOTN-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:14797;
dbo:casNumber "29857-72-5" , "1310-58-3" , "71769-53-4";
dbo:formula "HKO";
dbo:inchi "InChI=1S/K.H2O/h;1H2/q+1;/p-1";
dbo:iupacName "POTASSIUM HYDROXIDE"@en;
dbo:pubchem "14797"^^xsd:int;
dbo:smiles "[OH-].[K+]";
dbp:inchikey "KWYUFKZDYYNOTN-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000638;
skos:inScheme vlcs:chemische_stof;
skos:notation "KOH";
skos:prefLabel "kaliumhydroxide"@nl .
csc:PGMYKACGEOXYJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:12348;
dbo:casNumber "628-63-7";
dbo:formula "C7H14O2";
dbo:inchi "InChI=1S/C7H14O2/c1-3-4-5-6-9-7(2)8/h3-6H2,1-2H3";
dbo:iupacName "Pentyl acetate"@en;
dbo:pubchem "12348"^^xsd:int;
dbo:smiles "CCCCCOC(=O)C";
dbp:inchikey "PGMYKACGEOXYJE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "amactt";
skos:prefLabel "amylacetaat"@nl .
csc:BBDKZWKEPDTENS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7499;
dbo:casNumber "100-40-3" , "92619-43-7";
dbo:formula "C8H12";
dbo:inchi "InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2";
dbo:iupacName "4-Ethenylcyclohexene"@en;
dbo:pubchem "7499"^^xsd:int;
dbo:smiles "C=CC1CCC=CC1";
dbp:inchikey "BBDKZWKEPDTENS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000017;
skos:inScheme vlcs:chemische_stof;
skos:notation "4vn1ccC6e";
skos:prefLabel "4-vinyl-1-cyclohexeen"@nl .
csc:ZGNITFSDLCMLGI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11193251;
dbo:casNumber "272451-65-7";
dbo:formula "C23H22F7IN2O4S";
dbo:inchi "InChI=1S/C23H22F7IN2O4S/c1-12-10-13(21(24,22(25,26)27)23(28,29)30)8-9-16(12)32-18(34)14-6-5-7-15(31)17(14)19(35)33-20(2,3)11-38(4,36)37/h5-10H,11H2,1-4H3,(H,32,34)(H,33,35)";
dbo:iupacName "1-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylphenyl]-3-iodo-2-N-(2-methyl-1-methylsulfonylpropan-2-yl)benzene-1,2-dicarboxamide"@en;
dbo:pubchem "11193251"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C";
dbp:inchikey "ZGNITFSDLCMLGI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004713;
skos:inScheme vlcs:chemische_stof;
skos:notation "flubDad";
skos:prefLabel "flubendiamide"@nl .
csc:BGQMOFGZRJUORO-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:74745;
dbo:casNumber "1941-30-6" , "65129-05-7" , "65129-03-5";
dbo:formula "C12H28BrN";
dbo:inchi "InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "tetrapropylazanium bromide"@en;
dbo:pubchem "74745"^^xsd:int;
dbo:smiles "CCC[N+](CCC)(CCC)CCC.[Br-]";
dbp:inchikey "BGQMOFGZRJUORO-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4C3yNH3Br";
skos:prefLabel "tetrapropylammoniumbromide"@nl .
csc:RWNUSVWFHDHRCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:21210;
dbo:casNumber "5131-66-8";
dbo:formula "C7H16O2";
dbo:inchi "InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3";
dbo:iupacName "1-Butoxypropan-2-ol"@en;
dbo:pubchem "21210"^^xsd:int;
dbo:smiles "CCCCOCC(C)O";
dbp:inchikey "RWNUSVWFHDHRCJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001661;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C4ox2C3ol";
skos:prefLabel "1-butoxy-2-propanol"@nl .
csc:YRRKLBAKDXSTNC-WEVVVXLNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:9570093;
dbo:casNumber "1646-88-4" , "60005-95-0";
dbo:formula "C7H14N2O4S";
dbo:inchi "InChI=1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+";
dbo:iupacName "[(2-methyl-2-methylsulfonylpropylidene)amino] N-methylcarbamate"@en;
dbo:pubchem "9570093"^^xsd:int;
dbo:smiles "CC(C)(C=NOC(=O)NC)S(=O)(=O)C";
dbp:inchikey "YRRKLBAKDXSTNC-WEVVVXLNSA-N";
skos:broader csc:CHEMONTID_0000505;
skos:inScheme vlcs:chemische_stof;
skos:notation "alDcsfn";
skos:prefLabel "aldicarbsulfon"@nl .
csc:INQOMBQAUSQDDS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6328;
dbo:casNumber "74-88-4" , "147937-07-3";
dbo:formula "CH3I";
dbo:inchi "InChI=1S/CH3I/c1-2/h1H3";
dbo:iupacName "Iodomethane"@en;
dbo:pubchem "6328"^^xsd:int;
dbo:smiles "CI";
dbp:inchikey "INQOMBQAUSQDDS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004157;
skos:inScheme vlcs:chemische_stof;
skos:notation "IC1a";
skos:prefLabel "joodmethaan"@nl .
csc:VILGDADBAQFRJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:77344;
dbo:casNumber "3741-80-8";
dbo:formula "C18H17N3S4";
dbo:inchi "InChI=1S/C18H17N3S4/c1-18(2,3)21(24-16-19-12-8-4-6-10-14(12)22-16)25-17-20-13-9-5-7-11-15(13)23-17/h4-11H,1-3H3";
dbo:iupacName "N,N-bis(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine"@en;
dbo:pubchem "77344"^^xsd:int;
dbo:smiles "CC(C)(C)N(SC1=NC2=CC=CC=C2S1)SC3=NC4=CC=CC=C4S3";
dbp:inchikey "VILGDADBAQFRJE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "2bztazsfAd";
skos:prefLabel "2-benzothiazolsulfonamide"@nl .
csc:YPKBVWZHVTZSPU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:26660;
dbo:casNumber "14383-60-9";
dbo:formula "C11H15NO";
dbo:inchi "InChI=1S/C11H15NO/c1-9(12-10(2)13)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3,(H,12,13)";
dbo:iupacName "N-(1-phenylpropan-2-yl)acetamide"@en;
dbo:pubchem "26660"^^xsd:int;
dbo:smiles "CC(CC1=CC=CC=C1)NC(=O)C";
dbp:inchikey "YPKBVWZHVTZSPU-UHFFFAOYSA-N";
skos:altLabel "N-(alfa-methylfenethyl) acetamide"@nl;
skos:broader csc:CHEMONTID_0000188;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaC1yFC2yAd";
skos:prefLabel "n-(alfa-methylfenethyl) acetamide"@nl .
csc:FIPWRIJSWJWJAI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5794;
dbo:casNumber "63993-73-7" , "51-03-6" , "12750-92-4";
dbo:formula "C19H30O5";
dbo:inchi "InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3";
dbo:iupacName "5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole"@en;
dbo:pubchem "5794"^^xsd:int;
dbo:smiles "CCCCOCCOCCOCC1=CC2=C(C=C1CCC)OCO2";
dbp:inchikey "FIPWRIJSWJWJAI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000296;
skos:inScheme vlcs:chemische_stof;
skos:notation "piprnbO";
skos:prefLabel "piperonyl-butoxide"@nl .
csc:JLQUFIHWVLZVTJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:41384;
dbo:casNumber "55285-14-8" , "73468-61-8";
dbo:formula "C20H32N2O3S";
dbo:inchi "InChI=1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3";
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate"@en;
dbo:pubchem "41384"^^xsd:int;
dbo:smiles "CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C";
dbp:inchikey "JLQUFIHWVLZVTJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004189;
skos:inScheme vlcs:chemische_stof;
skos:notation "carbsfn";
skos:prefLabel "carbosulfan"@nl .
csc:VQGHOUODWALEFC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:13887;
dbo:casNumber "94928-86-6" , "1008-89-5";
dbo:formula "C11H9N";
dbo:inchi "InChI=1S/C11H9N/c1-2-6-10(7-3-1)11-8-4-5-9-12-11/h1-9H";
dbo:iupacName "2-PHENYLPYRIDINE"@en;
dbo:pubchem "13887"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=CC=CC=N2";
dbp:inchikey "VQGHOUODWALEFC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002317;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Fyprdne";
skos:prefLabel "2-fenylpyridine"@nl .
csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5355457;
dbo:casNumber "7440-39-3";
dbo:formula "Ba";
dbo:inchi "InChI=1S/Ba";
dbo:iupacName "BARIUM"@en;
dbo:pubchem "5355457"^^xsd:int;
dbo:smiles "[Ba]";
dbp:inchikey "DSAJWYNOEDNPEQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:exactMatch wise:CAS_7440-39-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ba";
skos:prefLabel "barium"@nl .
csc:NOOLISFMXDJSKH-KXUCPTDWSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:16666;
dbo:casNumber "98167-53-4" , "89-78-1" , "2216-51-5";
dbo:formula "C10H20O";
dbo:inchi "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1";
dbo:iupacName "(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol"@en;
dbo:pubchem "16666"^^xsd:int;
dbo:smiles "CC1CCC(C(C1)O)C(C)C";
dbp:inchikey "NOOLISFMXDJSKH-KXUCPTDWSA-N";
skos:broader csc:CHEMONTID_0001401;
skos:inScheme vlcs:chemische_stof;
skos:notation "mentl";
skos:prefLabel "menthol"@nl .
csc:KZAUOCCYDRDERY-UITAMQMPSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9595287;
dbo:casNumber "23135-22-0";
dbo:formula "C7H13N3O3S";
dbo:inchi "InChI=1S/C7H13N3O3S/c1-8-7(12)13-9-5(14-4)6(11)10(2)3/h1-4H3,(H,8,12)/b9-5-";
dbo:iupacName "[(2-dimethylamino-1-methylsulfanyl-2-oxoethylidene)amino] N-methylcarbamate"@en;
dbo:pubchem "9595287"^^xsd:int;
dbo:smiles "CNC(=O)ON=C(C(=O)N(C)C)SC";
dbp:inchikey "KZAUOCCYDRDERY-UITAMQMPSA-N";
skos:broader csc:CHEMONTID_0001664;
skos:inScheme vlcs:chemische_stof;
skos:notation "Oaml";
skos:prefLabel "oxamyl"@nl .
csc:QWPPOHNGKGFGJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:24341;
dbo:casNumber "7790-92-3" , "14333-29-0" , "26190-92-1";
dbo:formula "ClHO";
dbo:inchi "InChI=1S/ClHO/c1-2/h2H";
dbo:iupacName "HYPOCHLOROUS ACID"@en;
dbo:pubchem "24341"^^xsd:int;
dbo:smiles "OCl";
dbp:inchikey "QWPPOHNGKGFGJK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001057;
skos:inScheme vlcs:chemische_stof;
skos:notation "HOCl";
skos:prefLabel "hypochloorzuur"@nl .
csc:KDPAWGWELVVRCH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6227;
dbo:casNumber "418768-49-7" , "79-08-3";
dbo:formula "C2H3BrO2";
dbo:inchi "InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)";
dbo:iupacName "2-Bromoacetic acid"@en;
dbo:pubchem "6227"^^xsd:int;
dbo:smiles "C(C(=O)O)Br";
dbp:inchikey "KDPAWGWELVVRCH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrHAc";
skos:prefLabel "broomazijnzuur"@nl .
csc:PNDPGZBMCMUPRI-HVTJNCQCSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:24855;
dbo:casNumber "24267-56-9" , "10043-66-0";
dbo:formula "I2";
dbo:inchi "InChI=1S/I2/c1-2/i1+4,2+4";
dbo:iupacName "Iodine-131"@en;
dbo:pubchem "24855"^^xsd:int;
dbo:smiles "II";
dbp:inchikey "PNDPGZBMCMUPRI-HVTJNCQCSA-N";
skos:broader csc:CHEMONTID_0000432;
skos:inScheme vlcs:chemische_stof;
skos:notation "I131";
skos:prefLabel "jodium 131"@nl .
csc:GYHNNYVSQQEPJS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5360835;
dbo:casNumber "15091-79-9" , "7440-55-3";
dbo:formula "Ga";
dbo:inchi "InChI=1S/Ga";
dbo:iupacName "GALLIUM"@en;
dbo:pubchem "5360835"^^xsd:int;
dbo:smiles "[Ga]";
dbp:inchikey "GYHNNYVSQQEPJS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000427;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ga";
skos:prefLabel "gallium"@nl .
csc:HCTWZIFNBBCVGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:522524;
dbo:casNumber "7421-93-4";
dbo:formula "C12H8Cl6O";
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2";
dbo:iupacName "3,4,5,6,6,7-hexachloropentacyclo[6.3.0.02,4.03,7.05,9]undecane-10-carbaldehyde"@en;
dbo:pubchem "522524"^^xsd:int;
dbo:smiles "C1C(C2C3C1C4C5(C2(C(C3(C45Cl)Cl)(Cl)Cl)Cl)Cl)C=O";
dbp:inchikey "HCTWZIFNBBCVGM-UHFFFAOYSA-N";
skos:altLabel "endrinaldehyde"@nl;
skos:broader csc:CHEMONTID_0001549;
skos:inScheme vlcs:chemische_stof;
skos:notation "endAh";
skos:prefLabel "endrin aldehyde"@nl .
csc:DEQZTKGFXNUBJL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7232;
dbo:casNumber "156014-54-9" , "51540-81-9" , "108251-59-8" , "95-33-0";
dbo:formula "C13H16N2S2";
dbo:inchi "InChI=1S/C13H16N2S2/c1-2-6-10(7-3-1)15-17-13-14-11-8-4-5-9-12(11)16-13/h4-5,8-10,15H,1-3,6-7H2";
dbo:iupacName "N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine"@en;
dbo:pubchem "7232"^^xsd:int;
dbo:smiles "C1CCC(CC1)NSC2=NC3=CC=CC=C3S2";
dbp:inchikey "DEQZTKGFXNUBJL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "2ccC6yAotobz";
skos:prefLabel "2-(cyclohexylaminothio)benzothiazool"@nl .
csc:VEDTXTNSFWUXGQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13081;
dbo:casNumber "786-19-6";
dbo:formula "C11H16ClO2PS3";
dbo:inchi "InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3";
dbo:iupacName "(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "13081"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl";
dbp:inchikey "VEDTXTNSFWUXGQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004631;
skos:inScheme vlcs:chemische_stof;
skos:notation "carbfnton";
skos:prefLabel "carbofenothion"@nl .
csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3034400;
dbo:casNumber "68928-80-3" , "113172-79-5" , "139598-16-6";
dbo:formula "C12H3Br7O";
dbo:inchi "InChI=1S/C12H3Br7O/c13-4-2-1-3-5(6(4)14)20-12-10(18)8(16)7(15)9(17)11(12)19/h1-3H";
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene"@en;
dbo:pubchem "3034400"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br";
dbp:inchikey "NLBLNZDNOSSGPW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001845;
skos:exactMatch wise:CAS_68928-80-3;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "heptabroomdifenylether"@nl .
csc:HORNXRXVQWOLPJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7933;
dbo:casNumber "108-43-0";
dbo:formula "C6H5ClO";
dbo:inchi "InChI=1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H";
dbo:iupacName "3-Chlorophenol"@en;
dbo:pubchem "7933"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)Cl)O";
dbp:inchikey "HORNXRXVQWOLPJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002770;
skos:exactMatch wise:CAS_108-43-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "3ClFol";
skos:prefLabel "3-chloorfenol"@nl .
csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:9321;
dbo:casNumber "302-01-2" , "634-62-8" , "119775-10-9" , "31886-26-7" , "37836-27-4" , "75013-58-0";
dbo:formula "H4N2";
dbo:inchi "InChI=1S/H4N2/c1-2/h1-2H2";
dbo:iupacName "Hydrazine"@en;
dbo:pubchem "9321"^^xsd:int;
dbo:smiles "NN";
dbp:inchikey "OAKJQQAXSVQMHS-UHFFFAOYSA-N";
skos:altLabel "hydrazine"@nl;
skos:broader csc:CHEMONTID_0000434;
skos:inScheme vlcs:chemische_stof;
skos:notation "hydzne";
skos:prefLabel "hydrazine "@nl .
csc:AVSXSVCZWQODGV-DPAQBDIFSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:439577;
dbo:casNumber "313-04-2";
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/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1";
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en;
dbo:pubchem "439577"^^xsd:int;
dbo:smiles "CC(CCC=C(C)C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C";
dbp:inchikey "AVSXSVCZWQODGV-DPAQBDIFSA-N";
skos:broader csc:CHEMONTID_0001469;
skos:inScheme vlcs:chemische_stof;
skos:notation "chol524Den3b";
skos:prefLabel "cholesta-5,24-dien-3-beta-ol"@nl .
csc:AZQWKYJCGOJGHM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:4650;
dbo:casNumber "3225-29-4" , "51226-74-5" , "19052-63-2" , "54560-36-0" , "106-51-4";
dbo:formula "C6H4O2";
dbo:inchi "InChI=1S/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H";
dbo:iupacName "cyclohexa-2,5-diene-1,4-dione"@en;
dbo:pubchem "4650"^^xsd:int;
dbo:smiles "C1=CC(=O)C=CC1=O";
dbp:inchikey "AZQWKYJCGOJGHM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002494;
skos:inScheme vlcs:chemische_stof;
skos:notation "quinne";
skos:prefLabel "chinon"@nl .
csc:IQUPABOKLQSFBK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6947;
dbo:casNumber "88-75-5";
dbo:formula "C6H5NO3";
dbo:inchi "InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H";
dbo:iupacName "['2-(dihydroxyamino)phenol', '2-Nitrophenol']"@en;
dbo:pubchem "6947"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)[N+](=O)[O-])O";
dbp:inchikey "IQUPABOKLQSFBK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000141;
skos:inScheme vlcs:chemische_stof;
skos:notation "2NO2Fol";
skos:prefLabel "2-nitrofenol"@nl .
csc:OOLBCHYXZDXLDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:38687;
dbo:casNumber "40843-25-2" , "75045-49-7";
dbo:formula "C15H12Cl2O4";
dbo:inchi "InChI=1S/C15H12Cl2O4/c1-9(15(18)19)20-11-3-5-12(6-4-11)21-14-7-2-10(16)8-13(14)17/h2-9H,1H3,(H,18,19)";
dbo:iupacName "2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID"@en;
dbo:pubchem "38687"^^xsd:int;
dbo:smiles "CC(C(=O)O)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl";
dbp:inchikey "OOLBCHYXZDXLDS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004674;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dcfp";
skos:prefLabel "diclofop"@nl .
csc:WSEQXVZVJXJVFP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2771;
dbo:casNumber "59729-33-8";
dbo:formula "C20H21FN2O";
dbo:inchi "InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3";
dbo:iupacName "1-(3-dimethylaminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile"@en;
dbo:pubchem "2771"^^xsd:int;
dbo:smiles "CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F";
dbp:inchikey "WSEQXVZVJXJVFP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000014;
skos:inScheme vlcs:chemische_stof;
skos:notation "citlpm";
skos:prefLabel "citalopram"@nl .
csc:KIGBUEKEZHTCDR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:22095;
dbo:casNumber "5836-29-3";
dbo:formula "C19H16O3";
dbo:inchi "InChI=1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,21H,5,7,10H2";
dbo:iupacName "2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-4-one"@en;
dbo:pubchem "22095"^^xsd:int;
dbo:smiles "C1CC(C2=CC=CC=C2C1)C3=C(OC4=CC=CC=C4C3=O)O";
dbp:inchikey "KIGBUEKEZHTCDR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000145;
skos:inScheme vlcs:chemische_stof;
skos:notation "coumttll";
skos:prefLabel "coumatetralyl"@nl .
csc:LQNUZADURLCDLV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7416;
dbo:casNumber "26969-40-4" , "98-95-3";
dbo:formula "C6H5NO2";
dbo:inchi "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H";
dbo:iupacName "['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline']"@en;
dbo:pubchem "7416"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)[N+](=O)[O-]";
dbp:inchikey "LQNUZADURLCDLV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:exactMatch wise:CAS_98-95-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "NO2Ben";
skos:prefLabel "nitrobenzeen"@nl .
csc:PWORFEDVDWBHSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:85498;
dbo:casNumber "16584-00-2";
dbo:formula "C7H7N3";
dbo:inchi "InChI=1S/C7H7N3/c1-10-8-6-4-2-3-5-7(6)9-10/h2-5H,1H3";
dbo:iupacName "2-Methylbenzotriazole"@en;
dbo:pubchem "85498"^^xsd:int;
dbo:smiles "CN1N=C2C=CC=CC2=N1";
dbp:inchikey "PWORFEDVDWBHSJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000315;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y2bztazl";
skos:prefLabel "2-methyl-2-benzotriazool"@nl .
csc:WOWBFOBYOAGEEA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:91732;
dbo:casNumber "80060-09-9";
dbo:formula "C23H32N2OS";
dbo:inchi "InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)";
dbo:iupacName "3-tert-butyl-1-[4-(phenoxy)-2,6-di(propan-2-yl)phenyl]thiourea"@en;
dbo:pubchem "91732"^^xsd:int;
dbo:smiles "CC(C)C1=CC(=CC(=C1NC(=NC(C)(C)C)S)C(C)C)OC2=CC=CC=C2";
dbp:inchikey "WOWBFOBYOAGEEA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dfturn";
skos:prefLabel "diafenthiuron"@nl .
csc:YBQZXXMEJHZYMB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:31222;
dbo:casNumber "55299-18-8" , "122-66-7" , "38622-18-3";
dbo:formula "C12H12N2";
dbo:inchi "InChI=1S/C12H12N2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10,13-14H";
dbo:iupacName "1,2-di(phenyl)hydrazine"@en;
dbo:pubchem "31222"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)NNC2=CC=CC=C2";
dbp:inchikey "YBQZXXMEJHZYMB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000113;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DFyhdzne";
skos:prefLabel "1,2-difenylhydrazine"@nl .
csc:VPZIYMMSJFWLSP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:129274;
dbo:casNumber "68011-66-5";
dbo:formula "C15H12N2O2";
dbo:inchi "InChI=1S/C15H12N2O2/c16-15(19)17-13-4-2-1-3-10(13)5-6-11-9-12(18)7-8-14(11)17/h1-9,18H,(H2,16,19)";
dbo:iupacName "8-hydroxybenzo[b][1]benzazepine-11-carboxamide"@en;
dbo:pubchem "129274"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC(=C3)O";
dbp:inchikey "VPZIYMMSJFWLSP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000320;
skos:inScheme vlcs:chemische_stof;
skos:notation "2HOxcbmzpne";
skos:prefLabel "2-hydroxy carbamazepine"@nl .
csc:LNEPOXFFQSENCJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3559;
dbo:casNumber "52-86-8";
dbo:formula "C21H23ClFNO2";
dbo:inchi "InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2";
dbo:iupacName "4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one"@en;
dbo:pubchem "3559"^^xsd:int;
dbo:smiles "C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F";
dbp:inchikey "LNEPOXFFQSENCJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004298;
skos:inScheme vlcs:chemische_stof;
skos:notation "halprdl";
skos:prefLabel "haloperidol"@nl .
csc:MGSRCZKZVOBKFT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6989;
dbo:casNumber "89-83-8";
dbo:formula "C10H14O";
dbo:inchi "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7,11H,1-3H3";
dbo:iupacName "5-methyl-2-propan-2-ylphenol"@en;
dbo:pubchem "6989"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)C(C)C)O";
dbp:inchikey "MGSRCZKZVOBKFT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000051;
skos:inScheme vlcs:chemische_stof;
skos:notation "6iC3ymcsl";
skos:prefLabel "6-isopropyl-m-cresol"@nl .
csc:JFALSRSLKYAFGM-BJUDXGSMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:167047;
dbo:casNumber "14269-75-1";
dbo:formula "U";
dbo:inchi "InChI=1S/U/i1-1";
dbo:iupacName "uranium-237"@en;
dbo:pubchem "167047"^^xsd:int;
dbo:smiles "[U]";
dbp:inchikey "JFALSRSLKYAFGM-BJUDXGSMSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "U237";
skos:prefLabel "uranium 237"@nl .
csc:SRMWNTGHXHOWBT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3034468;
dbo:casNumber "31506-32-8" , "122526-47-0";
dbo:formula "C9H4F17NO2S";
dbo:inchi "InChI=1S/C9H4F17NO2S/c1-27-30(28,29)9(25,26)7(20,21)5(16,17)3(12,13)2(10,11)4(14,15)6(18,19)8(22,23)24/h27H,1H3";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyloctane-1-sulfonamide"@en;
dbo:pubchem "3034468"^^xsd:int;
dbo:smiles "CNS(=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 "SRMWNTGHXHOWBT-UHFFFAOYSA-N";
skos:altLabel "n-methylperfluoroctaan-1-sulfonamide (mepfosa)"@nl , "N-methyl perfluoroctaansulfonamide"@nl , "n-methylperfluor-n-octaansulfonamide"@nl , "N-methylperfluoroctaansulfonamide"@nl , "n-methylperfluor-n-octaansulfonamide (mepfosa)"@nl;
skos:broader csc:CHEMONTID_0003960;
skos:inScheme vlcs:chemische_stof;
skos:notation "MeFOSA" , "MePFOSA";
skos:prefLabel "n-methyl perfluoroctaansulfonamide"@nl .
csc:QAHFOPIILNICLA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:13728;
dbo:casNumber "12697-94-8" , "5104-31-4" , "73413-06-6" , "957-51-7";
dbo:formula "C16H17NO";
dbo:inchi "InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3";
dbo:iupacName "N,N-dimethyl-2,2-di(phenyl)acetamide"@en;
dbo:pubchem "13728"^^xsd:int;
dbo:smiles "CN(C)C(=O)C(C1=CC=CC=C1)C2=CC=CC=C2";
dbp:inchikey "QAHFOPIILNICLA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "DfAd";
skos:prefLabel "difenamide"@nl .
csc:DNVLJEWNNDHELH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:35970;
dbo:casNumber "31895-21-3" , "84523-34-2";
dbo:formula "C5H11NS3";
dbo:inchi "InChI=1S/C5H11NS3/c1-6(2)5-3-7-9-8-4-5/h5H,3-4H2,1-2H3";
dbo:iupacName "N,N-dimethyltrithian-5-amine"@en;
dbo:pubchem "35970"^^xsd:int;
dbo:smiles "CN(C)C1CSSSC1";
dbp:inchikey "DNVLJEWNNDHELH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001862;
skos:inScheme vlcs:chemische_stof;
skos:notation "toccm";
skos:prefLabel "thiocyclam"@nl .
csc:QHZSDTDMQZPUKC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:36981;
dbo:casNumber "34883-41-5";
dbo:formula "C12H8Cl2";
dbo:inchi "InChI=1S/C12H8Cl2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-8H";
dbo:iupacName "1,3-dichloro-5-phenylbenzene"@en;
dbo:pubchem "36981"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl";
dbp:inchikey "QHZSDTDMQZPUKC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB14";
skos:prefLabel "3,5-dichloorbifenyl"@nl .
csc:HYFLWBNQFMXCPA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11903;
dbo:casNumber "25154-47-6" , "25550-14-5" , "611-14-3";
dbo:formula "C9H12";
dbo:inchi "InChI=1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3";
dbo:iupacName "1-Ethyl-2-methylbenzene"@en;
dbo:pubchem "11903"^^xsd:int;
dbo:smiles "CCC1=CC=CC=C1C";
dbp:inchikey "HYFLWBNQFMXCPA-UHFFFAOYSA-N";
skos:altLabel "ethyltolueen"@nl;
skos:broader csc:CHEMONTID_0001091;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yTol" , "2C2yTol";
skos:prefLabel "2-ethyltolueen"@nl .
csc:VEXZGXHMUGYJMC-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:312;
dbo:casNumber "16887-00-6";
dbo:formula "Cl-";
dbo:inchi "InChI=1S/ClH/h1H/p-1";
dbo:iupacName "chloride"@en;
dbo:pubchem "312"^^xsd:int;
dbo:smiles "[Cl-]";
dbp:inchikey "VEXZGXHMUGYJMC-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000548;
skos:exactMatch wise:CAS_16887-00-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cl";
skos:prefLabel "chloride"@nl .
csc:SQYNKIJPMDEDEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:31264;
dbo:casNumber "123-63-7" , "1499-02-1" , "51289-71-5";
dbo:formula "C6H12O3";
dbo:inchi "InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3";
dbo:iupacName "2,4,6-Trimethyl-1,3,5-trioxane"@en;
dbo:pubchem "31264"^^xsd:int;
dbo:smiles "CC1OC(OC(O1)C)C";
dbp:inchikey "SQYNKIJPMDEDEG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001853;
skos:inScheme vlcs:chemische_stof;
skos:notation "parAh";
skos:prefLabel "paraldehyde"@nl .
csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:38854;
dbo:casNumber "41394-05-2";
dbo:formula "C10H10N4O";
dbo:inchi "InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3";
dbo:iupacName "4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one"@en;
dbo:pubchem "38854"^^xsd:int;
dbo:smiles "CC1=NN=C(C(=O)N1N)C2=CC=CC=C2";
dbp:inchikey "VHCNQEUWZYOAEV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004107;
skos:exactMatch wise:CAS_41394-05-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "mmtn";
skos:prefLabel "metamitron"@nl .
csc:JLLJHQLUZAKJFH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:41648;
dbo:casNumber "55861-78-4";
dbo:formula "C10H17N3O2";
dbo:inchi "InChI=1S/C10H17N3O2/c1-10(2,3)7-6-8(12-15-7)11-9(14)13(4)5/h6H,1-5H3,(H,11,12,14)";
dbo:iupacName "3-(5-tert-butyl-1,2-oxazol-3-yl)-1,1-dimethylurea"@en;
dbo:pubchem "41648"^^xsd:int;
dbo:smiles "CC(C)(C)C1=CC(=NO1)NC(=O)N(C)C";
dbp:inchikey "JLLJHQLUZAKJFH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003886;
skos:inScheme vlcs:chemische_stof;
skos:notation "iurn";
skos:prefLabel "isouron"@nl .
csc:STAPBGVGYWCRTF-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19292;
dbo:casNumber "11114-06-0" , "3653-48-3" , "11100-01-9";
dbo:formula "C9H8ClNaO3";
dbo:inchi "InChI=1S/C9H9ClO3.Na/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1";
dbo:iupacName "sodium 2-(4-chloro-2-methylphenoxy)acetate"@en;
dbo:pubchem "19292"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].[Na+]";
dbp:inchikey "STAPBGVGYWCRTF-UHFFFAOYSA-M";
skos:altLabel "MCPA natriumzout"@nl;
skos:broader csc:CHEMONTID_0004525;
skos:inScheme vlcs:chemische_stof;
skos:notation "MCPANazt";
skos:prefLabel "mcpa natriumzout"@nl .
csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:246598;
dbo:casNumber "3424-82-6";
dbo:formula "C14H8Cl4";
dbo:inchi "InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H";
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene"@en;
dbo:pubchem "246598"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl";
dbp:inchikey "ZDYJWDIWLRZXDB-UHFFFAOYSA-N";
skos:altLabel "o,p’-dde"@nl , "op'dichloordifenyldichlooretheen"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:exactMatch wise:CAS_3424-82-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DDE";
skos:prefLabel "2,4'-dichloordifenyldichlooretheen"@nl .
csc:KFRVYYGHSPLXSZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13527;
dbo:casNumber "919-94-8";
dbo:formula "C7H16O";
dbo:inchi "InChI=1S/C7H16O/c1-5-7(3,4)8-6-2/h5-6H2,1-4H3";
dbo:iupacName "2-Ethoxy-2-methylbutane"@en;
dbo:pubchem "13527"^^xsd:int;
dbo:smiles "CCC(C)(C)OCC";
dbp:inchikey "KFRVYYGHSPLXSZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C2ox2C1yC4a";
skos:prefLabel "2-ethoxy-2-methylbutaan"@nl .
csc:BQCADISMDOOEFD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:23954;
dbo:casNumber "15046-91-0" , "87370-84-1" , "7440-22-4" , "12553-68-3" , "87354-45-8";
dbo:formula "Ag";
dbo:inchi "InChI=1S/Ag";
dbo:iupacName "Silver"@en;
dbo:pubchem "23954"^^xsd:int;
dbo:smiles "[Ag]";
dbp:inchikey "BQCADISMDOOEFD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:exactMatch wise:CAS_7440-22-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ag";
skos:prefLabel "zilver"@nl .
csc:LJQOBQLZTUSEJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:38410;
dbo:casNumber "40186-71-8";
dbo:formula "C12H2Cl8";
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H";
dbo:iupacName "1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene"@en;
dbo:pubchem "38410"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "LJQOBQLZTUSEJA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB201";
skos:prefLabel "2,2',3,3',4,5',6,6'-octachloorbifenyl"@nl .
csc:UPUGLJYNCXXUQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17242;
dbo:casNumber "2497-07-6";
dbo:formula "C8H19O3PS3";
dbo:inchi "InChI=1S/C8H19O3PS3/c1-4-10-12(13,11-5-2)14-7-8-15(9)6-3/h4-8H2,1-3H3";
dbo:iupacName "diethoxy-(2-ethylsulfinylethylsulfanyl)-sulfanylidenephosphorane"@en;
dbo:pubchem "17242"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCCS(=O)CC";
dbp:inchikey "UPUGLJYNCXXUQV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:inScheme vlcs:chemische_stof;
skos:notation "DsftSO";
skos:prefLabel "disulfoton-sulfoxide"@nl .
csc:ZDZOTLJHXYCWBA-VCVYQWHSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:148124;
dbo:casNumber "114977-28-5";
dbo:formula "C43H53NO14";
dbo:inchi "InChI=1S/C43H53NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+/m0/s1";
dbo:iupacName "[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"@en;
dbo:pubchem "148124"^^xsd:int;
dbo:smiles "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O";
dbp:inchikey "ZDZOTLJHXYCWBA-VCVYQWHSSA-N";
skos:broader csc:CHEMONTID_0000676;
skos:inScheme vlcs:chemische_stof;
skos:notation "doctxl";
skos:prefLabel "docetaxel"@nl .
csc:FEPBITJSIHRMRT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4765;
dbo:casNumber "98-67-9" , "28469-73-0";
dbo:formula "C6H6O4S";
dbo:inchi "InChI=1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)";
dbo:iupacName "4-Hydroxybenzenesulfonic acid"@en;
dbo:pubchem "4765"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1O)S(=O)(=O)O";
dbp:inchikey "FEPBITJSIHRMRT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000032;
skos:inScheme vlcs:chemische_stof;
skos:notation "pFolsfzr";
skos:prefLabel "p-fenolsulfonzuur"@nl .
csc:COYBRKAVBMYYSF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:93528;
dbo:casNumber "99607-70-2";
dbo:formula "C18H22ClNO3";
dbo:inchi "InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3";
dbo:iupacName "heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate"@en;
dbo:pubchem "93528"^^xsd:int;
dbo:smiles "CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2";
dbp:inchikey "COYBRKAVBMYYSF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "cloqtcmxl";
skos:prefLabel "cloquintoceet-mexyl"@nl .
csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:23712;
dbo:casNumber "7286-69-3" , "109829-45-0";
dbo:formula "C9H16ClN5";
dbo:inchi "InChI=1S/C9H16ClN5/c1-4-6(3)12-9-14-7(10)13-8(15-9)11-5-2/h6H,4-5H2,1-3H3,(H2,11,12,13,14,15)";
dbo:iupacName "N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "23712"^^xsd:int;
dbo:smiles "CCC(C)NC1=NC(=NC(=N1)NCC)Cl";
dbp:inchikey "BZRUVKZGXNSXMB-UHFFFAOYSA-N";
skos:altLabel "sebutylazine"@nl;
skos:broader csc:CHEMONTID_0004734;
skos:exactMatch wise:CAS_7286-69-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "seC4yazne";
skos:prefLabel "sebuthylazine"@nl .
csc:UKHUPOMCGUFNAP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:22141518;
dbo:casNumber "749786-16-1";
dbo:formula "C11HF23O3S";
dbo:inchi "InChI=1S/C11HF23O3S/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)38(35,36)37/h(H,35,36,37)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-tricosafluoroundecane-1-sulfonic acid"@en;
dbo:pubchem "22141518"^^xsd:int;
dbo:smiles "C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "UKHUPOMCGUFNAP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003961;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFUnDS";
skos:prefLabel "perfluor-n-undecaansulfonzuur "@nl .
csc:DCOPUUMXTXDBNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3033;
dbo:casNumber "15307-86-5";
dbo:formula "C14H11Cl2NO2";
dbo:inchi "InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)";
dbo:iupacName "2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetic acid"@en;
dbo:pubchem "3033"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl";
dbp:inchikey "DCOPUUMXTXDBNB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:exactMatch wise:CAS_15307-86-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dclofnc";
skos:prefLabel "diclofenac"@nl .
csc:PGPNJCAMHOJTEF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23436;
dbo:casNumber "55398-86-2" , "7005-72-3";
dbo:formula "C12H9ClO";
dbo:inchi "InChI=1S/C12H9ClO/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H";
dbo:iupacName "1-chloro-4-(phenoxy)benzene"@en;
dbo:pubchem "23436"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl";
dbp:inchikey "PGPNJCAMHOJTEF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "4ClFyFyEtr";
skos:prefLabel "4-chloorfenyl fenylether"@nl .
csc:DEWVPZYHFVYXMZ-QCILGFJPSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:65419;
dbo:casNumber "62938-94-7" , "55819-26-6" , "55600-00-5" , "52508-35-7";
dbo:formula "C12H17NaO7";
dbo:inchi "InChI=1S/C12H18O7.Na/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);/q;+1/p-1/t6-,7+,8-,12+;/m0./s1";
dbo:iupacName "sodium;(1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylate"@en;
dbo:pubchem "65419"^^xsd:int;
dbo:smiles "CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]";
dbp:inchikey "DEWVPZYHFVYXMZ-QCILGFJPSA-M";
skos:broader csc:CHEMONTID_0004472;
skos:inScheme vlcs:chemische_stof;
skos:notation "dikglNa";
skos:prefLabel "dikegulac-natrium"@nl .
csc:WBTMFEPLVQOWFI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:38878;
dbo:casNumber "41464-42-0";
dbo:formula "C12H6Cl4";
dbo:inchi "InChI=1S/C12H6Cl4/c13-8-1-2-12(16)11(6-8)7-3-9(14)5-10(15)4-7/h1-6H";
dbo:iupacName "1,3-dichloro-5-(2,5-dichlorophenyl)benzene"@en;
dbo:pubchem "38878"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)C2=CC(=CC(=C2)Cl)Cl)Cl";
dbp:inchikey "WBTMFEPLVQOWFI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB72";
skos:prefLabel "2,3',5,5'-tetrachloorbifenyl"@nl .
csc:BHRZNVHARXXAHW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:24874;
dbo:casNumber "776995-07-4" , "33966-50-6" , "513-49-5" , "13952-84-6" , "13250-12-9";
dbo:formula "C4H11N";
dbo:inchi "InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3";
dbo:iupacName "butan-2-amine"@en;
dbo:pubchem "24874"^^xsd:int;
dbo:smiles "CCC(C)N";
dbp:inchikey "BHRZNVHARXXAHW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "secC4yAe";
skos:prefLabel "sec-butylamine"@nl .
csc:NUJGJRNETVAIRJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:454;
dbo:casNumber "124-13-0";
dbo:formula "C8H16O";
dbo:inchi "InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3";
dbo:iupacName "Octanal"@en;
dbo:pubchem "454"^^xsd:int;
dbo:smiles "CCCCCCCC=O";
dbp:inchikey "NUJGJRNETVAIRJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002229;
skos:inScheme vlcs:chemische_stof;
skos:notation "C8al";
skos:prefLabel "octanal"@nl .
csc:AQIHMSVIAGNIDM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12056;
dbo:casNumber "618-32-6";
dbo:formula "C7H5BrO";
dbo:inchi "InChI=1S/C7H5BrO/c8-7(9)6-4-2-1-3-5-6/h1-5H";
dbo:iupacName "BENZOYL BROMIDE"@en;
dbo:pubchem "12056"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(=O)Br";
dbp:inchikey "AQIHMSVIAGNIDM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000176;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzyBr";
skos:prefLabel "benzoylbromide"@nl .
csc:CPEUVMUXAHMANV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:35802;
dbo:casNumber "31430-15-6";
dbo:formula "C16H12FN3O3";
dbo:inchi "InChI=1S/C16H12FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8H,1H3,(H2,18,19,20,22)";
dbo:iupacName "methyl N-[6-(4-fluorobenzoyl)-1H-benzimidazol-2-yl]carbamate"@en;
dbo:pubchem "35802"^^xsd:int;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F";
dbp:inchikey "CPEUVMUXAHMANV-UHFFFAOYSA-N";
skos:altLabel "flubendazol"@nl;
skos:broader csc:CHEMONTID_0000120;
skos:inScheme vlcs:chemische_stof;
skos:notation "flubdzle";
skos:prefLabel "flubendazole"@nl .
csc:IMROMDMJAWUWLK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11199;
dbo:casNumber "9002-89-5" , "557-75-5";
dbo:formula "C2H4O";
dbo:inchi "InChI=1S/C2H4O/c1-2-3/h2-3H,1H2";
dbo:iupacName "Ethenol"@en;
dbo:pubchem "11199"^^xsd:int;
dbo:smiles "C=CO";
dbp:inchikey "IMROMDMJAWUWLK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000132;
skos:inScheme vlcs:chemische_stof;
skos:notation "polvnachl";
skos:prefLabel "polyvinylalcohol"@nl .
csc:GPXLRLUVLMHHIK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:93379;
dbo:casNumber "68157-60-8";
dbo:formula "C12H10ClN3O";
dbo:inchi "InChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)";
dbo:iupacName "3-(2-chloropyridin-4-yl)-1-phenylurea"@en;
dbo:pubchem "93379"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)NC(=O)NC2=CC(=NC=C2)Cl";
dbp:inchikey "GPXLRLUVLMHHIK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004532;
skos:inScheme vlcs:chemische_stof;
skos:notation "fClfnrn";
skos:prefLabel "forchlorfenuron"@nl .
csc:PYLWMHQQBFSUBP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:10008;
dbo:casNumber "462-06-6";
dbo:formula "C6H5F";
dbo:inchi "InChI=1S/C6H5F/c7-6-4-2-1-3-5-6/h1-5H";
dbo:iupacName "Fluorobenzene"@en;
dbo:pubchem "10008"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)F";
dbp:inchikey "PYLWMHQQBFSUBP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001100;
skos:inScheme vlcs:chemische_stof;
skos:notation "C6H5F";
skos:prefLabel "fluorbenzeen"@nl .
csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl;
rdfs:seeAlso compound:3776;
dbo:casNumber "67-63-0" , "5131-95-3" , "8013-70-5";
dbo:formula "C3H8O";
dbo:inchi "InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3";
dbo:iupacName "Propan-2-ol"@en;
dbo:pubchem "3776"^^xsd:int;
dbo:smiles "CC(C)O";
dbp:inchikey "KFZMGEQAYNKOFK-UHFFFAOYSA-N";
skos:altLabel "isopropanol"@nl;
skos:broader csc:CHEMONTID_0001661;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C3ol";
skos:prefLabel "2-propanol"@nl .
csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:992;
dbo:casNumber "101802-54-4" , "87-86-5" , "39390-77-7";
dbo:formula "C6HCl5O";
dbo:inchi "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H";
dbo:iupacName "2,3,4,5,6-Pentachlorophenol"@en;
dbo:pubchem "992"^^xsd:int;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O";
dbp:inchikey "IZUPBVBPLAPZRR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002772;
skos:exactMatch wise:CAS_87-86-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "PeClFol";
skos:prefLabel "pentachloorfenol"@nl .
csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:10477;
dbo:casNumber "506-77-4";
dbo:formula "CClN";
dbo:inchi "InChI=1S/CClN/c2-1-3";
dbo:iupacName "carbononitridic chloride"@en;
dbo:pubchem "10477"^^xsd:int;
dbo:smiles "C(#N)Cl";
dbp:inchikey "QPJDMGCKMHUXFD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004084;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "chloorcyaan"@nl .
csc:BASFCYQUMIYNBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:23939;
dbo:casNumber "7440-06-4" , "21547-63-7";
dbo:formula "Pt";
dbo:inchi "InChI=1S/Pt";
dbo:iupacName "PLATINUM"@en;
dbo:pubchem "23939"^^xsd:int;
dbo:smiles "[Pt]";
dbp:inchikey "BASFCYQUMIYNBI-UHFFFAOYSA-N";
skos:altLabel "platina (Pt)"@nl;
skos:broader csc:CHEMONTID_0000426;
skos:definition "Platina en zijn verbindingen, uitgedrukt als Pt"@nl;
skos:inScheme vlcs:chemische_stof;
skos:notation "Pt";
skos:prefLabel "platina"@nl .
csc:UFNOUKDBUJZYDE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:86132;
dbo:casNumber "94361-06-5" , "113096-99-4";
dbo:formula "C15H18ClN3O";
dbo:inchi "InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3";
dbo:iupacName "2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en;
dbo:pubchem "86132"^^xsd:int;
dbo:smiles "CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O";
dbp:inchikey "UFNOUKDBUJZYDE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "cypcnzl";
skos:prefLabel "cyproconazool"@nl .
csc:VEQOALNAAJBPNY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2206;
dbo:casNumber "123175-91-7" , "5779-41-9" , "60-80-0";
dbo:formula "C11H12N2O";
dbo:inchi "InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3";
dbo:iupacName "1,5-dimethyl-2-phenylpyrazol-3-one"@en;
dbo:pubchem "2206"^^xsd:int;
dbo:smiles "CC1=CC(=O)N(N1C)C2=CC=CC=C2";
dbp:inchikey "VEQOALNAAJBPNY-UHFFFAOYSA-N";
skos:altLabel "fenazon"@nl;
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenzn";
skos:prefLabel "fenazon (antipyrine)"@nl .
csc:ZCXGMSGCBDSEOY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:30647;
dbo:casNumber "941-57-1";
dbo:formula "C7H5NO3S2";
dbo:inchi "InChI=1S/C7H5NO3S2/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7/h1-4H,(H,9,10,11)";
dbo:iupacName "1,3-benzothiazole-2-sulfonic acid"@en;
dbo:pubchem "30647"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)O";
dbp:inchikey "ZCXGMSGCBDSEOY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "13benztaz2sf";
skos:prefLabel "1,3-benzothiazool-2-sulfonzuur"@nl .
csc:ZPZKADHMBHMAES-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:62431;
dbo:casNumber "2164-07-0";
dbo:formula "C8H8K2O5";
dbo:inchi "InChI=1S/C8H10O5.2K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;;/h3-6H,1-2H2,(H,9,10)(H,11,12);;/q;2*+1/p-2";
dbo:iupacName "dipotassium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate"@en;
dbo:pubchem "62431"^^xsd:int;
dbo:smiles "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[K+].[K+]";
dbp:inchikey "ZPZKADHMBHMAES-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0000346;
skos:inScheme vlcs:chemische_stof;
skos:notation "DKedtl";
skos:prefLabel "dikalium endothall"@nl .
csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:27375;
dbo:casNumber "11111-56-1" , "15545-48-9";
dbo:formula "C10H13ClN2O";
dbo:inchi "InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)";
dbo:iupacName "3-(3-chloro-4-methylphenyl)-1,1-dimethylurea"@en;
dbo:pubchem "27375"^^xsd:int;
dbo:smiles "CC1=C(C=C(C=C1)NC(=O)N(C)C)Cl";
dbp:inchikey "JXCGFZXSOMJFOA-UHFFFAOYSA-N";
skos:altLabel "chlorotoluron"@nl;
skos:broader csc:CHEMONTID_0001935;
skos:exactMatch wise:CAS_15545-48-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cltlrn";
skos:prefLabel "chloortoluron"@nl .
csc:MLUCVPSAIODCQM-IHWYPQMZSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:643950;
dbo:casNumber "4170-30-3";
dbo:formula "C4H6O";
dbo:inchi "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2-";
dbo:iupacName "(Z)-but-2-enal"@en;
dbo:pubchem "643950"^^xsd:int;
dbo:smiles "CC=CC=O";
dbp:inchikey "MLUCVPSAIODCQM-IHWYPQMZSA-N";
skos:broader csc:CHEMONTID_0002436;
skos:inScheme vlcs:chemische_stof;
skos:notation "aclinC1y";
skos:prefLabel "2-butenal (cis en trans)"@nl .
csc:RLYCRLGLCUXUPO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13205;
dbo:casNumber "823-40-5";
dbo:formula "C7H10N2";
dbo:inchi "InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3";
dbo:iupacName "2-methylbenzene-1,3-diamine"@en;
dbo:pubchem "13205"^^xsd:int;
dbo:smiles "CC1=C(C=CC=C1N)N";
dbp:inchikey "RLYCRLGLCUXUPO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003965;
skos:inScheme vlcs:chemische_stof;
skos:notation "26TolDAe";
skos:prefLabel "2,6-tolueendiamine"@nl .
csc:TYYBFXNZMFNZJT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3742;
dbo:casNumber "59017-64-0";
dbo:formula "C24H21I6N5O8";
dbo:inchi "InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)";
dbo:iupacName "3-[[2-[[3-(acetyl-methylamino)-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid"@en;
dbo:pubchem "3742"^^xsd:int;
dbo:smiles "CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I";
dbp:inchikey "TYYBFXNZMFNZJT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004361;
skos:inScheme vlcs:chemische_stof;
skos:notation "joxgnzr";
skos:prefLabel "joxaglinezuur"@nl .
csc:YLFSVIMMRPNPFK-VAWYXSNFSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6242405;
dbo:casNumber "103833-18-7";
dbo:formula "C26H21F6NO5";
dbo:inchi "InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11+";
dbo:iupacName "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-[(E)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate']"@en;
dbo:pubchem "6242405"^^xsd:int;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C";
dbp:inchikey "YLFSVIMMRPNPFK-VAWYXSNFSA-N";
skos:broader csc:CHEMONTID_0001461;
skos:inScheme vlcs:chemische_stof;
skos:notation "acntn";
skos:prefLabel "acrinathrin"@nl .
csc:KGVPNLBXJKTABS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:24781;
dbo:casNumber "10004-44-1" , "128907-24-4";
dbo:formula "C4H5NO2";
dbo:inchi "InChI=1S/C4H5NO2/c1-3-2-4(6)5-7-3/h2H,1H3,(H,5,6)";
dbo:iupacName "5-methyl-1,2-oxazol-3-one"@en;
dbo:pubchem "24781"^^xsd:int;
dbo:smiles "CC1=CC(=O)NO1";
dbp:inchikey "KGVPNLBXJKTABS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000081;
skos:inScheme vlcs:chemische_stof;
skos:notation "hymxzl";
skos:prefLabel "hymexazool"@nl .
csc:VGHPMIFEKOFHHQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:86422;
dbo:casNumber "139528-85-1";
dbo:formula "C14H13Cl2N5O4S";
dbo:inchi "InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3";
dbo:iupacName "N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide"@en;
dbo:pubchem "86422"^^xsd:int;
dbo:smiles "CC1=C(C(=C(C=C1)Cl)NS(=O)(=O)C2=NN3C(=CC(=NC3=N2)OC)OC)Cl";
dbp:inchikey "VGHPMIFEKOFHHQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004682;
skos:inScheme vlcs:chemische_stof;
skos:notation "metslm";
skos:prefLabel "metosulam"@nl .
csc:KNHJIEOCVVIBIV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:137096;
dbo:casNumber "1591-99-7";
dbo:formula "C9H9NO";
dbo:inchi "InChI=1S/C9H9NO/c1-7-4-3-5-9(8(7)2)10-6-11/h3-5H,1-2H3";
dbo:iupacName "1-Isocyanato-2,3-dimethylbenzene"@en;
dbo:pubchem "137096"^^xsd:int;
dbo:smiles "CC1=C(C(=CC=C1)N=C=O)C";
dbp:inchikey "KNHJIEOCVVIBIV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004210;
skos:inScheme vlcs:chemische_stof;
skos:notation "23DC1yFyiCN";
skos:prefLabel "2,3-dimethylfenyl isocyanaat"@nl .
csc:RDBIYWSVMRVKSG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12572;
dbo:casNumber "644-64-4";
dbo:formula "C10H16N4O3";
dbo:inchi "InChI=1S/C10H16N4O3/c1-7-6-8(17-10(16)13(4)5)11-14(7)9(15)12(2)3/h6H,1-5H3";
dbo:iupacName "[1-(dimethylcarbamoyl)-5-methylpyrazol-3-yl] N,N-dimethylcarbamate"@en;
dbo:pubchem "12572"^^xsd:int;
dbo:smiles "CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C";
dbp:inchikey "RDBIYWSVMRVKSG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000087;
skos:inScheme vlcs:chemische_stof;
skos:notation "dimtln";
skos:prefLabel "dimetilan"@nl .
csc:KVNYFPKFSJIPBJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8657;
dbo:casNumber "25340-17-4" , "1300-82-9" , "135-01-3";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-3-9-7-5-6-8-10(9)4-2/h5-8H,3-4H2,1-2H3";
dbo:iupacName "1,2-DIETHYLBENZENE"@en;
dbo:pubchem "8657"^^xsd:int;
dbo:smiles "CCC1=CC=CC=C1CC";
dbp:inchikey "KVNYFPKFSJIPBJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DC2yBen";
skos:prefLabel "1,2-diethylbenzeen"@nl .
csc:HCWPIIXVSYCSAN-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6328553;
dbo:casNumber "15262-20-1";
dbo:formula "Ra";
dbo:inchi "InChI=1S/Ra/i1+2";
dbo:iupacName "radium-228"@en;
dbo:pubchem "6328553"^^xsd:int;
dbo:smiles "[Ra]";
dbp:inchikey "HCWPIIXVSYCSAN-NJFSPNSNSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ra228";
skos:prefLabel "radium 228"@nl .
csc:JTSDBFGMPLKDCD-SWSPHLSKSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6436128;
dbo:casNumber "108050-54-0";
dbo:formula "C46H80N2O13";
dbo:inchi "InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26?,27?,28-,29+,30-,31-,32+,33-,35?,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1";
dbo:iupacName "(5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-dimethylamino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione"@en;
dbo:pubchem "6436128"^^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)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC";
dbp:inchikey "JTSDBFGMPLKDCD-SWSPHLSKSA-N";
skos:broader csc:CHEMONTID_0000282;
skos:inScheme vlcs:chemische_stof;
skos:notation "tilmcsne";
skos:prefLabel "tilmicosine"@nl .
csc:OKKJLVBELUTLKV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:887;
dbo:casNumber "54841-71-3" , "67-56-1";
dbo:formula "CH4O";
dbo:inchi "InChI=1S/CH4O/c1-2/h2H,1H3";
dbo:iupacName "methanol"@en;
dbo:pubchem "887"^^xsd:int;
dbo:smiles "CO";
dbp:inchikey "OKKJLVBELUTLKV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000286;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1ol";
skos:prefLabel "methanol"@nl .
csc:CGSLYBDCEGBZCG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:14716;
dbo:casNumber "1241-94-7";
dbo:formula "C20H27O4P";
dbo:inchi "InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3";
dbo:iupacName "2-Ethylhexyl diphenyl phosphate"@en;
dbo:pubchem "14716"^^xsd:int;
dbo:smiles "CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2";
dbp:inchikey "CGSLYBDCEGBZCG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004619;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C2yC6yDFyPO";
skos:prefLabel "2-ethylhexyldifenylfosfaat"@nl .
csc:RZILCCPWPBTYDO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:16562;
dbo:casNumber "2164-17-2";
dbo:formula "C10H11F3N2O";
dbo:inchi "InChI=1S/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)";
dbo:iupacName "1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea"@en;
dbo:pubchem "16562"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC=CC(=C1)C(F)(F)F";
dbp:inchikey "RZILCCPWPBTYDO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:inScheme vlcs:chemische_stof;
skos:notation "fluomtrn";
skos:prefLabel "fluometuron"@nl .
csc:HCWPIIXVSYCSAN-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6336607;
dbo:casNumber "13981-53-8";
dbo:formula "Ra";
dbo:inchi "InChI=1S/Ra/i1-1";
dbo:iupacName "radium-225"@en;
dbo:pubchem "6336607"^^xsd:int;
dbo:smiles "[Ra]";
dbp:inchikey "HCWPIIXVSYCSAN-BJUDXGSMSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ra225";
skos:prefLabel "radium 225"@nl .
csc:KRTSDMXIXPKRQR-AATRIKPKSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5371562;
dbo:casNumber "83857-41-4" , "2157-98-4" , "6923-22-4";
dbo:formula "C7H14NO5P";
dbo:inchi "InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+";
dbo:iupacName "['dimethyl (4-methylamino-4-oxobut-2-en-2-yl) phosphate', 'dimethyl [(E)-4-methylamino-4-oxobut-2-en-2-yl] phosphate']"@en;
dbo:pubchem "5371562"^^xsd:int;
dbo:smiles "CC(=CC(=O)NC)OP(=O)(OC)OC";
dbp:inchikey "KRTSDMXIXPKRQR-AATRIKPKSA-N";
skos:altLabel "azodrin"@nl;
skos:broader csc:CHEMONTID_0003459;
skos:inScheme vlcs:chemische_stof;
skos:notation "azdn" , "Mctfs";
skos:prefLabel "monocrotofos"@nl .
csc:QPCDCPDFJACHGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:3053;
dbo:casNumber "84932-15-0" , "13407-13-1" , "49758-21-6" , "25737-54-6" , "67-43-6" , "7575-40-8" , "6889-50-5";
dbo:formula "C14H23N3O10";
dbo:inchi "InChI=1S/C14H23N3O10/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27)";
dbo:iupacName "2-[bis[2-(bis(carboxymethyl)amino)ethyl]amino]acetic acid"@en;
dbo:pubchem "3053"^^xsd:int;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O";
dbp:inchikey "QPCDCPDFJACHGM-UHFFFAOYSA-N";
skos:altLabel "diethyleentriaminepenta-azijnzuur"@nl , "di-ethyleentriaminepentaazijnzuur (DTPA)"@nl;
skos:broader csc:CHEMONTID_0002995;
skos:inScheme vlcs:chemische_stof;
skos:notation "DTPA";
skos:prefLabel "di-ethyleentriaminepentaazijnzuur (dtpa)"@nl .
csc:MWGATWIBSKHFMR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:31235;
dbo:casNumber "122-98-5";
dbo:formula "C8H11NO";
dbo:inchi "InChI=1S/C8H11NO/c10-7-6-9-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2";
dbo:iupacName "2-(Phenylamino)ethanol"@en;
dbo:pubchem "31235"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)NCCO";
dbp:inchikey "MWGATWIBSKHFMR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003924;
skos:inScheme vlcs:chemische_stof;
skos:notation "2FyAoC2ol";
skos:prefLabel "2-fenylamino-ethanol"@nl .
csc:NTUBJKOTTSFEEV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:70139;
dbo:casNumber "877-09-8";
dbo:formula "C8H6Cl4";
dbo:inchi "InChI=1S/C8H6Cl4/c1-3-5(9)4(2)7(11)8(12)6(3)10/h1-2H3";
dbo:iupacName "1,2,3,5-tetrachloro-4,6-dimethylbenzene"@en;
dbo:pubchem "70139"^^xsd:int;
dbo:smiles "CC1=C(C(=C(C(=C1Cl)Cl)Cl)C)Cl";
dbp:inchikey "NTUBJKOTTSFEEV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004209;
skos:inScheme vlcs:chemische_stof;
skos:notation "1235T4Cl46DC";
skos:prefLabel "1,2,3,5-tetrachloor-4,6-dimethylbenzeen"@nl .
csc:LLYYNOVSVPBRGV-NFQTWZMKSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:443605;
dbo:casNumber "101312-92-9";
dbo:formula "C31H52N2O5S";
dbo:inchi "InChI=1S/C31H52N2O5S/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37)/t19?,20-,22+,24?,25-,26-,29+,30-,31-/m0/s1";
dbo:iupacName "[(1S,2R,3S,4S,6R,7R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[1-[(2-amino-3-methylbutanoyl)amino]-2-methylpropan-2-yl]sulfanylacetate"@en;
dbo:pubchem "443605"^^xsd:int;
dbo:smiles "CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C";
dbp:inchikey "LLYYNOVSVPBRGV-NFQTWZMKSA-N";
skos:broader csc:CHEMONTID_0002003;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "valnemuline"@nl .
csc:PFIADAMVCJPXSF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:17581;
dbo:casNumber "2675-77-6";
dbo:formula "C8H8Cl2O2";
dbo:inchi "InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3";
dbo:iupacName "1,4-Dichloro-2,5-dimethoxybenzene"@en;
dbo:pubchem "17581"^^xsd:int;
dbo:smiles "COC1=CC(=C(C=C1Cl)OC)Cl";
dbp:inchikey "PFIADAMVCJPXSF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004111;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clnb";
skos:prefLabel "chloroneb"@nl .
csc:NCFTXMQPRQZFMZ-WERGMSTESA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:44186;
dbo:casNumber "62893-20-3" , "62893-19-0";
dbo:formula "C25H26N9NaO8S2";
dbo:inchi "InChI=1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1";
dbo:iupacName "sodium (6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en;
dbo:pubchem "44186"^^xsd:int;
dbo:smiles "CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]";
dbp:inchikey "NCFTXMQPRQZFMZ-WERGMSTESA-M";
skos:broader csc:CHEMONTID_0001189;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "cefobid"@nl .
csc:YCMLQMDWSXFTIF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6924;
dbo:casNumber "88-19-7" , "1333-07-9" , "8013-74-9";
dbo:formula "C7H9NO2S";
dbo:inchi "InChI=1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)";
dbo:iupacName "2-Methylbenzenesulfonamide"@en;
dbo:pubchem "6924"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1S(=O)(=O)N";
dbp:inchikey "YCMLQMDWSXFTIF-UHFFFAOYSA-N";
skos:altLabel "o-tolueensulfonamide"@nl;
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "TSA" , "oTolsfAd";
skos:prefLabel "tolueensulfonamide"@nl .
csc:DBVJJBKOTRCVKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3305;
dbo:casNumber "85985-26-8" , "51888-66-5" , "106908-76-3" , "2809-21-4" , "129130-42-3" , "86159-18-4" , "100511-44-2" , "66216-98-6";
dbo:formula "C2H8O7P2";
dbo:inchi "InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)";
dbo:iupacName "['(1-hydroxy-1-phosphonoethyl)phosphonic acid', 'trihydroxy-(1-hydroxy-1-trihydroxyphosphaniumylethyl)phosphanium']"@en;
dbo:pubchem "3305"^^xsd:int;
dbo:smiles "CC(O)(P(=O)(O)O)P(=O)(O)O";
dbp:inchikey "DBVJJBKOTRCVKF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000327;
skos:inScheme vlcs:chemische_stof;
skos:notation "HEDP";
skos:prefLabel "1-hydroxyethylideen-1,1-difosfonzuur"@nl .
csc:KFUSEUYYWQURPO-UPHRSURJSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:643833;
dbo:casNumber "156-59-2";
dbo:formula "C2H2Cl2";
dbo:inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-";
dbo:iupacName "(Z)-1,2-Dichloroethene"@en;
dbo:pubchem "643833"^^xsd:int;
dbo:smiles "C(=CCl)Cl";
dbp:inchikey "KFUSEUYYWQURPO-UPHRSURJSA-N";
skos:altLabel "1,2-dichlooretheen,cis"@nl;
skos:broader csc:CHEMONTID_0002863;
skos:exactMatch wise:CAS_156-59-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "c12DClC2e";
skos:prefLabel "cis-1,2-dichlooretheen"@nl .
csc:VPWNQTHUCYMVMZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6626;
dbo:casNumber "98388-00-2" , "80-09-1";
dbo:formula "C12H10O4S";
dbo:inchi "InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H";
dbo:iupacName "4-(4-hydroxyphenyl)sulfonylphenol"@en;
dbo:pubchem "6626"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2)O";
dbp:inchikey "VPWNQTHUCYMVMZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004233;
skos:inScheme vlcs:chemische_stof;
skos:notation "44sulfnDFol";
skos:prefLabel "4,4'-sulfonyldifenol"@nl .
csc:UIWXSTHGICQLQT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7750;
dbo:casNumber "105-38-4" , "25035-84-1" , "170016-12-3";
dbo:formula "C5H8O2";
dbo:inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h4H,2-3H2,1H3";
dbo:iupacName "ethenyl propanoate"@en;
dbo:pubchem "7750"^^xsd:int;
dbo:smiles "CCC(=O)OC=C";
dbp:inchikey "UIWXSTHGICQLQT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002354;
skos:inScheme vlcs:chemische_stof;
skos:notation "polvnppont";
skos:prefLabel "polyvinylpropionaat"@nl .
csc:HXQPUEQDBSPXTE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7957;
dbo:casNumber "108-82-7" , "84295-44-3";
dbo:formula "C9H20O";
dbo:inchi "InChI=1S/C9H20O/c1-7(2)5-9(10)6-8(3)4/h7-10H,5-6H2,1-4H3";
dbo:iupacName "2,6-Dimethylheptan-4-ol"@en;
dbo:pubchem "7957"^^xsd:int;
dbo:smiles "CC(C)CC(CC(C)C)O";
dbp:inchikey "HXQPUEQDBSPXTE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001661;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DC1y4C7ol";
skos:prefLabel "2,6-dimethyl-4-heptanol"@nl .
csc:YTNKWDJILNVLGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:71764;
dbo:casNumber "81403-80-7" , "81403-68-1";
dbo:formula "C19H28ClN5O4";
dbo:inchi "InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H";
dbo:iupacName "N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide hydrochloride"@en;
dbo:pubchem "71764"^^xsd:int;
dbo:smiles "CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl";
dbp:inchikey "YTNKWDJILNVLGX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002314;
skos:inScheme vlcs:chemische_stof;
skos:notation "alfzsn";
skos:prefLabel "alfuzosin"@nl .
csc:DPNNNPAKRZOSMO-UHFFFAOYSA-K
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:60714;
dbo:casNumber "120066-54-8";
dbo:formula "C17H29GdN4O7";
dbo:inchi "InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3";
dbo:iupacName "gadolinium(+3) cation; 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate"@en;
dbo:pubchem "60714"^^xsd:int;
dbo:smiles "CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3]";
dbp:inchikey "DPNNNPAKRZOSMO-UHFFFAOYSA-K";
skos:broader csc:CHEMONTID_0002404;
skos:inScheme vlcs:chemische_stof;
skos:notation "gadtrdl";
skos:prefLabel "gadoteridol"@nl .
csc:NIMLQBUJDJZYEJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:169132;
dbo:casNumber "53880-05-0" , "4098-71-9";
dbo:formula "C12H18N2O2";
dbo:inchi "InChI=1S/C12H18N2O2/c1-11(2)4-10(14-9-16)5-12(3,6-11)7-13-8-15/h10H,4-7H2,1-3H3";
dbo:iupacName "5-Isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane"@en;
dbo:pubchem "169132"^^xsd:int;
dbo:smiles "CC1(CC(CC(C1)(C)CN=C=O)N=C=O)C";
dbp:inchikey "NIMLQBUJDJZYEJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000501;
skos:inScheme vlcs:chemische_stof;
skos:notation "ifrDiCN";
skos:prefLabel "isoforon diisocyanaat"@nl .
csc:HHXNVASVVVNNDG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:40480;
dbo:casNumber "52663-73-7";
dbo:formula "C12H2Cl8";
dbo:inchi "InChI=1S/C12H2Cl8/c13-3-1-2-4(14)7(15)5(3)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H";
dbo:iupacName "1,2,3,4,5-pentachloro-6-(2,3,6-trichlorophenyl)benzene"@en;
dbo:pubchem "40480"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "HHXNVASVVVNNDG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB199";
skos:prefLabel "2,2',3,3',4,5,6,6'-octachloorbifenyl"@nl .
csc:MWKVXOJATACCCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6451155;
dbo:casNumber "163520-33-0";
dbo:formula "C18H17NO3";
dbo:inchi "InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3";
dbo:iupacName "ethyl 5,5-di(phenyl)-4H-1,2-oxazole-3-carboxylate"@en;
dbo:pubchem "6451155"^^xsd:int;
dbo:smiles "CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3";
dbp:inchikey "MWKVXOJATACCCH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "ixdfnC2y";
skos:prefLabel "isoxadifen-ethyl"@nl .
csc:BULLJMKUVKYZDJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:67733;
dbo:casNumber "355-43-1";
dbo:formula "C6F13I";
dbo:inchi "InChI=1S/C6F13I/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20";
dbo:iupacName "1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane"@en;
dbo:pubchem "67733"^^xsd:int;
dbo:smiles "C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F";
dbp:inchikey "BULLJMKUVKYZDJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001518;
skos:inScheme vlcs:chemische_stof;
skos:notation "PF1IC6a";
skos:prefLabel "perfluor-1-joodhexaan"@nl .
csc:IALRSQMWHFKJJA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:28455;
dbo:casNumber "17301-94-9";
dbo:formula "C10H22";
dbo:inchi "InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3";
dbo:iupacName "4-METHYLNONANE"@en;
dbo:pubchem "28455"^^xsd:int;
dbo:smiles "CCCCCC(C)CCC";
dbp:inchikey "IALRSQMWHFKJJA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1yC9a";
skos:prefLabel "4-methylnonaan"@nl .
csc:JLYXXMFPNIAWKQ-DCLYFUHFNA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:727;
dbo:casNumber "6108-10-7";
dbo:formula "C6H6Cl6";
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5-,6-";
dbo:iupacName "(1R,2R,3R,4S,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane"@en;
dbo:smiles "Cl[C@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H]1Cl";
dbp:inchikey "JLYXXMFPNIAWKQ-DCLYFUHFNA-N";
skos:altLabel "ε-1,2,3,4,5,6-hexachlorocyclohexaan"@nl , "ε-hexachlorocyclohexaan"@nl;
skos:broader csc:CHEMONTID_0004485;
skos:exactMatch wise:CAS_6108-10-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "eHCH";
skos:prefLabel "epsilon-hexachloorcyclohexaan"@nl .
csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:6361;
dbo:casNumber "75-29-6";
dbo:formula "C3H7Cl";
dbo:inchi "InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3";
dbo:iupacName "2-CHLOROPROPANE"@en;
dbo:pubchem "6361"^^xsd:int;
dbo:smiles "CC(C)Cl";
dbp:inchikey "ULYZAYCEDJDHCC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "2ClC3a";
skos:prefLabel "2-chloorpropaan"@nl .
csc:JCXGWMGPZLAOME-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5359367;
dbo:casNumber "7440-69-9" , "25243-76-9" , "17000-07-6" , "24267-48-9";
dbo:formula "Bi";
dbo:inchi "InChI=1S/Bi";
dbo:iupacName "BISMUTH"@en;
dbo:pubchem "5359367"^^xsd:int;
dbo:smiles "[Bi]";
dbp:inchikey "JCXGWMGPZLAOME-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000427;
skos:inScheme vlcs:chemische_stof;
skos:notation "Bi";
skos:prefLabel "bismut"@nl .
csc:NYNKJVPRTLBJNQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:75407;
dbo:casNumber "2372-82-9";
dbo:formula "C18H41N3";
dbo:inchi "InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3";
dbo:iupacName "N-(3-Aminopropyl)-N-dodecylpropane-1,3-diamine"@en;
dbo:pubchem "75407"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCN(CCCN)CCCN";
dbp:inchikey "NYNKJVPRTLBJNQ-UHFFFAOYSA-N";
skos:altLabel "N-(3-aminopropyl)-N-dodecylpropaan-1,3-diamine"@nl;
skos:broader csc:CHEMONTID_0002239;
skos:inScheme vlcs:chemische_stof;
skos:notation "N3AoC3yN12yC";
skos:prefLabel "n-(3-aminopropyl)-n-dodecylpropaan-1,3-diamine"@nl .
csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:177368;
dbo:casNumber "182346-21-0";
dbo:formula "C12H5Br5O";
dbo:inchi "InChI=1S/C12H5Br5O/c13-6-1-3-9(8(15)5-6)18-10-4-2-7(14)11(16)12(10)17/h1-5H";
dbo:iupacName "1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene"@en;
dbo:pubchem "177368"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br";
dbp:inchikey "DMLQSUZPTTUUDP-UHFFFAOYSA-N";
skos:altLabel "2,2',3,4,4'-pentabroomdifenylether (bde85)"@nl;
skos:broader csc:CHEMONTID_0001845;
skos:exactMatch wise:CAS_182346-21-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "PBDE85";
skos:prefLabel "2,2',3,4,4'-pentabroomdifenylether"@nl .
csc:OXOZHAWWRPCVGL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:74821;
dbo:casNumber "1066-40-6" , "2004-14-0";
dbo:formula "C3H9LiOSi";
dbo:inchi "InChI=1S/C3H9OSi.Li/c1-5(2,3)4;/h1-3H3;/q-1;+1";
dbo:iupacName "lithium trimethyl-oxidosilane"@en;
dbo:pubchem "74821"^^xsd:int;
dbo:smiles "[Li+].C[Si](C)(C)[O-]";
dbp:inchikey "OXOZHAWWRPCVGL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004479;
skos:inScheme vlcs:chemische_stof;
skos:notation "C3yslnl";
skos:prefLabel "trimethylsilanol"@nl .
csc:HYHJOUPYTUBFIX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:155385;
dbo:casNumber "70628-36-3";
dbo:formula "C11H13NO3";
dbo:inchi "InChI=1S/C11H13NO3/c1-8(2)12(10(13)11(14)15)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15)";
dbo:iupacName "2-oxo-2-(phenyl-propan-2-ylamino)acetic acid"@en;
dbo:pubchem "155385"^^xsd:int;
dbo:smiles "CC(C)N(C1=CC=CC=C1)C(=O)C(=O)O";
dbp:inchikey "HYHJOUPYTUBFIX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:inScheme vlcs:chemische_stof;
skos:notation "propCloxlt";
skos:prefLabel "propachlooroxalaat"@nl .
csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:7500;
dbo:casNumber "28213-80-1" , "70955-17-8" , "68908-88-3" , "100-41-4";
dbo:formula "C8H10";
dbo:inchi "InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3";
dbo:iupacName "Ethylbenzene"@en;
dbo:pubchem "7500"^^xsd:int;
dbo:smiles "CCC1=CC=CC=C1";
dbp:inchikey "YNQLUTRBYVCPMQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:exactMatch wise:CAS_100-41-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yBen";
skos:prefLabel "ethylbenzeen"@nl .
csc:PODWXQQNRWNDGD-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:61475;
dbo:casNumber "7772-98-7" , "10102-17-7";
dbo:formula "H10Na2O8S2";
dbo:inchi "InChI=1S/2Na.H2O3S2.5H2O/c;;1-5(2,3)4;;;;;/h;;(H2,1,2,3,4);5*1H2/q2*+1;;;;;;/p-2";
dbo:iupacName "disodium;dioxido-oxo-sulfanylidene-lambda6-sulfane;pentahydrate"@en;
dbo:pubchem "61475"^^xsd:int;
dbo:smiles "O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+]";
dbp:inchikey "PODWXQQNRWNDGD-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0000668;
skos:inScheme vlcs:chemische_stof;
skos:notation "NatoSO4";
skos:prefLabel "natriumthiosulfaat"@nl .
csc:SRJQTHAZUNRMPR-UYQKXTDMSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:443059;
dbo:casNumber "131929-60-7";
dbo:formula "C41H65NO10";
dbo:inchi "InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1";
dbo:iupacName "(1S,2R,5S,7R,9R,10S,14R,15S,19S)-15-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-19-ethyl-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione"@en;
dbo:pubchem "443059"^^xsd:int;
dbo:smiles "CCC1CCCC(C(C(=O)C2=CC3C4CC(CC4C=CC3C2CC(=O)O1)OC5C(C(C(C(O5)C)OC)OC)OC)C)OC6CCC(C(O6)C)N(C)C";
dbp:inchikey "SRJQTHAZUNRMPR-UYQKXTDMSA-N";
skos:altLabel "spinosyna"@nl;
skos:broader csc:CHEMONTID_0000282;
skos:inScheme vlcs:chemische_stof;
skos:notation "spinsnA";
skos:prefLabel "spinosynA"@nl .
csc:CJIASZBWXIFQMU-ZVXOBQGSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6442262;
dbo:casNumber "157622-02-1";
dbo:formula "C54H72N8O12";
dbo:inchi "InChI=1S/C54H72N8O12/c1-29(2)24-42-52(69)61-46(54(72)73)33(6)48(65)59-43(27-37-28-55-40-19-15-14-18-38(37)40)51(68)57-39(21-20-30(3)25-31(4)44(74-10)26-36-16-12-11-13-17-36)32(5)47(64)58-41(53(70)71)22-23-45(63)62(9)35(8)50(67)56-34(7)49(66)60-42/h11-21,25,28-29,31-34,39,41-44,46,55H,8,22-24,26-27H2,1-7,9-10H3,(H,56,67)(H,57,68)(H,58,64)(H,59,65)(H,60,66)(H,61,69)(H,70,71)(H,72,73)/b21-20-,30-25+";
dbo:iupacName "15-(1H-indol-3-ylmethyl)-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 "6442262"^^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=CNC3=CC=CC=C32)C=CC(=CC(C)C(CC4=CC=CC=C4)OC)C";
dbp:inchikey "CJIASZBWXIFQMU-ZVXOBQGSSA-N";
skos:altLabel "microcystine-lw"@nl;
skos:broader csc:CHEMONTID_0002010;
skos:inScheme vlcs:chemische_stof;
skos:notation "MC-LW";
skos:prefLabel "microcystine-LW"@nl .
csc:NZUPFZNVGSWLQC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:103634;
dbo:casNumber "52434-90-9";
dbo:formula "C12H15Br6N3O3";
dbo:inchi "InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2";
dbo:iupacName "1,3,5-tris(2,3-dibromopropyl)-1,3,5-triazinane-2,4,6-trione"@en;
dbo:pubchem "103634"^^xsd:int;
dbo:smiles "C(C(CBr)Br)N1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br";
dbp:inchikey "NZUPFZNVGSWLQC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001920;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "tris(dibroompropyl)isocyanuraat"@nl .
csc:GOHBXWHNJHENRX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:19427;
dbo:casNumber "3697-24-3";
dbo:formula "C19H14";
dbo:inchi "InChI=1S/C19H14/c1-13-12-15-7-3-4-8-16(15)18-11-10-14-6-2-5-9-17(14)19(13)18/h2-12H,1H3";
dbo:iupacName "5-METHYLCHRYSENE"@en;
dbo:pubchem "19427"^^xsd:int;
dbo:smiles "CC1=CC2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3";
dbp:inchikey "GOHBXWHNJHENRX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001142;
skos:inScheme vlcs:chemische_stof;
skos:notation "5C1yChr";
skos:prefLabel "5-methylchryseen"@nl .
csc:QARVLSVVCXYDNA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7961;
dbo:casNumber "108-86-1";
dbo:formula "C6H5Br";
dbo:inchi "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H";
dbo:iupacName "Bromobenzene"@en;
dbo:pubchem "7961"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)Br";
dbp:inchikey "QARVLSVVCXYDNA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001098;
skos:exactMatch wise:CAS_108-86-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrBen";
skos:prefLabel "broombenzeen"@nl .
csc:VGGSQFUCUMXWEO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6325;
dbo:casNumber "87701-65-3" , "33060-30-9" , "9002-88-4" , "74-85-1" , "68037-39-8" , "87701-64-2";
dbo:formula "C2H4";
dbo:inchi "InChI=1S/C2H4/c1-2/h1-2H2";
dbo:iupacName "Ethene"@en;
dbo:pubchem "6325"^^xsd:int;
dbo:smiles "C=C";
dbp:inchikey "VGGSQFUCUMXWEO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004476;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2e";
skos:prefLabel "etheen"@nl .
csc:OTPSWLRZXRHDNX-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:26041;
dbo:casNumber "162400-43-3" , "192458-89-2" , "244778-79-8" , "15686-64-3" , "118480-78-7" , "208398-70-3" , "74261-71-5" , "226883-65-4" , "3590-23-6" , "1192-70-7" , "39412-61-8" , "1320-68-9" , "17652-47-0" , "14376-32-0" , "3138-01-0" , "13463-41-7" , "31089-48-2" , "51406-57-6" , "16782-00-6" , "55172-61-7" , "109702-19-4" , "35430-20-7" , "51148-10-8";
dbo:formula "C10H8N2O2S2Zn";
dbo:inchi "InChI=1S/2C5H5NOS.Zn/c2*7-6-4-2-1-3-5(6)8;/h2*1-4,8H;/q;;+2/p-2";
dbo:iupacName "zinc 1-oxidopyridin-1-ium-2-thiolate"@en;
dbo:pubchem "26041"^^xsd:int;
dbo:smiles "C1=CC=[N+](C(=C1)[S-])[O-].C1=CC=[N+](C(=C1)[S-])[O-].[Zn+2]";
dbp:inchikey "OTPSWLRZXRHDNX-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001764;
skos:inScheme vlcs:chemische_stof;
skos:notation "Znprton";
skos:prefLabel "zinkpyrithion"@nl .
csc:PCCSBWNGDMYFCW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:213032;
dbo:casNumber "131807-57-3";
dbo:formula "C22H18N2O4";
dbo:inchi "InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3";
dbo:iupacName "5-methyl-5-[4-(phenoxy)phenyl]-3-(phenylamino)-1,3-oxazolidine-2,4-dione"@en;
dbo:pubchem "213032"^^xsd:int;
dbo:smiles "CC1(C(=O)N(C(=O)O1)NC2=CC=CC=C2)C3=CC=C(C=C3)OC4=CC=CC=C4";
dbp:inchikey "PCCSBWNGDMYFCW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "famxdne";
skos:prefLabel "famoxadone"@nl .
csc:CZMRCDWAGMRECN-UGDNZRGBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5988;
dbo:casNumber "151756-02-4" , "47185-09-1" , "76056-38-7" , "57-50-1" , "75398-84-4" , "65545-99-5" , "47257-91-0" , "220376-22-7" , "29253-78-9" , "47167-52-2" , "131932-12-2" , "51909-69-4" , "146187-04-4" , "92004-84-7" , "9012-95-7" , "87430-66-8" , "8027-47-2" , "85456-51-5" , "8030-20-4" , "50857-68-6" , "30027-72-6" , "64533-66-0" , "29764-06-5" , "104242-10-6" , "78654-77-0" , "80165-03-3" , "146054-35-5" , "25702-74-3" , "100405-08-1" , "86101-30-6";
dbo:formula "C12H22O11";
dbo:inchi "InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1";
dbo:iupacName "(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en;
dbo:pubchem "5988"^^xsd:int;
dbo:smiles "C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O";
dbp:inchikey "CZMRCDWAGMRECN-UGDNZRGBSA-N";
skos:broader csc:CHEMONTID_0002207;
skos:inScheme vlcs:chemische_stof;
skos:notation "saccrse";
skos:prefLabel "saccharose"@nl .
csc:QWDQYHPOSSHSAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:66988;
dbo:casNumber "156520-08-0" , "112-96-9";
dbo:formula "C19H37NO";
dbo:inchi "InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19-21/h2-18H2,1H3";
dbo:iupacName "1-Isocyanatooctadecane"@en;
dbo:pubchem "66988"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCN=C=O";
dbp:inchikey "QWDQYHPOSSHSAW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000501;
skos:inScheme vlcs:chemische_stof;
skos:notation "1iCNC18a";
skos:prefLabel "1-isocyanaat-octadecaan"@nl .
csc:LSHROXHEILXKHM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19990;
dbo:casNumber "4067-16-7" , "778592-37-3";
dbo:formula "C10H28N6";
dbo:inchi "InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2";
dbo:iupacName "N,N'-bis[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine"@en;
dbo:pubchem "19990"^^xsd:int;
dbo:smiles "C(CNCCNCCNCCNCCN)N";
dbp:inchikey "LSHROXHEILXKHM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002228;
skos:inScheme vlcs:chemische_stof;
skos:notation "PeC2yHxAe";
skos:prefLabel "pentaethyleenhexamine"@nl .
csc:HLZKNKRTKFSKGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8209;
dbo:casNumber "60650-34-2" , "150138-88-8" , "68855-56-1" , "63393-82-8" , "75782-87-5" , "67762-41-8" , "68333-80-2" , "8032-14-2" , "71750-71-5" , "126339-59-1" , "112-72-1" , "67762-30-5" , "126339-60-4" , "52439-75-5" , "179607-28-4" , "67762-42-9" , "68002-95-9";
dbo:formula "C14H30O";
dbo:inchi "InChI=1S/C14H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-14H2,1H3";
dbo:iupacName "tetradecan-1-ol"@en;
dbo:pubchem "8209"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCO";
dbp:inchikey "HLZKNKRTKFSKGZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002951;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C14ol";
skos:prefLabel "1-tetradecanol"@nl .
csc:DFCAFRGABIXSDS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:14337;
dbo:casNumber "71330-39-7" , "1134-23-2";
dbo:formula "C11H21NOS";
dbo:inchi "InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3";
dbo:iupacName "S-ethyl (cyclohexyl-ethylamino)methanethioate"@en;
dbo:pubchem "14337"^^xsd:int;
dbo:smiles "CCN(C1CCCCC1)C(=O)SCC";
dbp:inchikey "DFCAFRGABIXSDS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001368;
skos:inScheme vlcs:chemische_stof;
skos:notation "cycat";
skos:prefLabel "cycloaat"@nl .
csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:7967;
dbo:casNumber "11119-77-0" , "9003-41-2" , "108-94-1" , "9075-99-4";
dbo:formula "C6H10O";
dbo:inchi "InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2";
dbo:iupacName "Cyclohexanone"@en;
dbo:pubchem "7967"^^xsd:int;
dbo:smiles "C1CCC(=O)CC1";
dbp:inchikey "JHIVVAPYMSGYDF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003487;
skos:inScheme vlcs:chemische_stof;
skos:notation "cycC6on";
skos:prefLabel "cyclohexanon"@nl .
csc:OGRAOKJKVGDSFR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12769;
dbo:casNumber "70969-66-3" , "697-82-5";
dbo:formula "C9H12O";
dbo:inchi "InChI=1S/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H3";
dbo:iupacName "2,3,5-Trimethylphenol"@en;
dbo:pubchem "12769"^^xsd:int;
dbo:smiles "CC1=CC(=C(C(=C1)O)C)C";
dbp:inchikey "OGRAOKJKVGDSFR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001274;
skos:inScheme vlcs:chemische_stof;
skos:notation "235TC1yFol";
skos:prefLabel "2,3,5-trimethylfenol"@nl .
csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3286;
dbo:casNumber "563-12-2";
dbo:formula "C9H22O4P2S4";
dbo:inchi "InChI=1S/C9H22O4P2S4/c1-5-10-14(16,11-6-2)18-9-19-15(17,12-7-3)13-8-4/h5-9H2,1-4H3";
dbo:iupacName "diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "3286"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCSP(=S)(OCC)OCC";
dbp:inchikey "RIZMRRKBZQXFOY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:exactMatch wise:CAS_563-12-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "eton";
skos:prefLabel "ethion"@nl .
csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11660;
dbo:casNumber "594-20-7";
dbo:formula "C3H6Cl2";
dbo:inchi "InChI=1S/C3H6Cl2/c1-3(2,4)5/h1-2H3";
dbo:iupacName "2,2-DICHLOROPROPANE"@en;
dbo:pubchem "11660"^^xsd:int;
dbo:smiles "CC(C)(Cl)Cl";
dbp:inchikey "ZEOVXNVKXIPWMS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:exactMatch wise:CAS_594-20-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "22DClC3a";
skos:prefLabel "2,2-dichloorpropaan"@nl .
csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13526;
dbo:casNumber "919-86-8";
dbo:formula "C6H15O3PS2";
dbo:inchi "InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3";
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfanylethane"@en;
dbo:pubchem "13526"^^xsd:int;
dbo:smiles "CCSCCSP(=O)(OC)OC";
dbp:inchikey "WEBQKRLKWNIYKK-UHFFFAOYSA-N";
skos:altLabel "demeton-s-methyl"@nl;
skos:broader csc:CHEMONTID_0001438;
skos:exactMatch wise:CAS_919-86-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "demtSC1y";
skos:prefLabel "demeton-S-methyl"@nl .
csc:OKISUZLXOYGIFP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7034;
dbo:casNumber "90-98-2";
dbo:formula "C13H8Cl2O";
dbo:inchi "InChI=1S/C13H8Cl2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H";
dbo:iupacName "bis(4-chlorophenyl)methanone"@en;
dbo:pubchem "7034"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)Cl";
dbp:inchikey "OKISUZLXOYGIFP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000120;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DClbzfnn";
skos:prefLabel "4,4'-dichloorbenzofenon"@nl .
csc:FKNQFGJONOIPTF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:923;
dbo:casNumber "17341-25-2" , "7440-23-5";
dbo:formula "Na+";
dbo:inchi "InChI=1S/Na/q+1";
dbo:iupacName "sodium(+1) cation"@en;
dbo:pubchem "923"^^xsd:int;
dbo:smiles "[Na+]";
dbp:inchikey "FKNQFGJONOIPTF-UHFFFAOYSA-N";
skos:altLabel "natrium, eenwaardig"@nl;
skos:broader csc:CHEMONTID_0000425;
skos:exactMatch wise:CAS_7440-23-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "Na";
skos:prefLabel "natrium"@nl .
csc:STNSYZSNIYTNMI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:162806;
dbo:casNumber "57011-27-5" , "1429-50-1";
dbo:formula "C6H23N3O12P4";
dbo:inchi "InChI=1S/C6H20N2O12P4.H3N/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);1H3";
dbo:iupacName "azane; [2-(bis(phosphonomethyl)amino)ethyl-(phosphonomethyl)amino]methylphosphonic acid"@en;
dbo:pubchem "162806"^^xsd:int;
dbo:smiles "C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O.N";
dbp:inchikey "STNSYZSNIYTNMI-UHFFFAOYSA-N";
skos:altLabel "ethyleendiamine tetra(methyleen fosfonzuur) (EDTMP)"@nl;
skos:broader csc:CHEMONTID_0001302;
skos:inScheme vlcs:chemische_stof;
skos:notation "EDTMP";
skos:prefLabel "ethyleendiamine tetra(methyleen fosfonzuur) (edtmp)"@nl .
csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'"@nl , "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)"@nl , "VLAR III (D3, diverse art) 'Cd'"@nl , "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'"@nl , "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'"@nl , "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'"@nl , "VLAR II (D2) 'cadmium'"@nl;
rdfs:seeAlso compound:31193;
dbo:casNumber "22537-48-0" , "7440-43-9";
dbo:formula "Cd+2";
dbo:inchi "InChI=1S/Cd/q+2";
dbo:iupacName "cadmium(+2) cation"@en;
dbo:pubchem "31193"^^xsd:int;
dbo:smiles "[Cd+2]";
dbp:inchikey "WLZRMCYVCSSEQC-UHFFFAOYSA-N";
skos:altLabel "Cadmium (Cd)"@nl;
skos:broader csc:CHEMONTID_0000426;
skos:definition "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)"@nl;
skos:exactMatch wise:CAS_7440-43-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cd";
skos:prefLabel "cadmium"@nl .
csc:DMQQXDPCRUGSQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:80296;
dbo:casNumber "1939-36-2" , "161122-34-5";
dbo:formula "C11H18N2O8";
dbo:inchi "InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)";
dbo:iupacName "2-[3-(bis(carboxymethyl)amino)propyl-(carboxymethyl)amino]acetic acid"@en;
dbo:pubchem "80296"^^xsd:int;
dbo:smiles "C(CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O";
dbp:inchikey "DMQQXDPCRUGSQB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002966;
skos:inScheme vlcs:chemische_stof;
skos:notation "13C3yeDAeT4H";
skos:prefLabel "1,3-propyleendiaminetatraazijnzuur"@nl .
csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:1032;
dbo:casNumber "79-09-4" , "68937-68-8" , "68990-37-4" , "3349-08-4" , "784139-72-6";
dbo:formula "C3H6O2";
dbo:inchi "InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)";
dbo:iupacName "Propanoic acid"@en;
dbo:pubchem "1032"^^xsd:int;
dbo:smiles "CCC(=O)O";
dbp:inchikey "XBDQKXXYIPTUBI-UHFFFAOYSA-N";
skos:altLabel "propionzuur "@nl;
skos:broader csc:CHEMONTID_0001205;
skos:inScheme vlcs:chemische_stof;
skos:notation "propozr";
skos:prefLabel "propionzuur"@nl .
csc:PCKNFPQPGUWFHO-UQRQXUALSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6537963;
dbo:casNumber "113036-88-7";
dbo:formula "C25H20ClF2N3O3";
dbo:inchi "InChI=1S/C25H20ClF2N3O3/c26-18-10-8-17(9-11-18)23(16-6-7-16)31-34-14-15-4-12-19(13-5-15)29-25(33)30-24(32)22-20(27)2-1-3-21(22)28/h1-5,8-13,16H,6-7,14H2,(H2,29,30,32,33)/b31-23+";
dbo:iupacName "N-[[4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]phenyl]carbamoyl]-2,6-difluorobenzamide"@en;
dbo:pubchem "6537963"^^xsd:int;
dbo:smiles "C1CC1C(=NOCC2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C4=CC=C(C=C4)Cl";
dbp:inchikey "PCKNFPQPGUWFHO-UQRQXUALSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:inScheme vlcs:chemische_stof;
skos:notation "fluccxrn";
skos:prefLabel "flucycloxuron"@nl .
csc:VWQVUPCCIRVNHF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23993;
dbo:casNumber "110123-45-0" , "7440-65-5" , "27151-36-6";
dbo:formula "Y";
dbo:inchi "InChI=1S/Y";
dbo:iupacName "YTTRIUM"@en;
dbo:pubchem "23993"^^xsd:int;
dbo:smiles "[Y]";
dbp:inchikey "VWQVUPCCIRVNHF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Y";
skos:prefLabel "yttrium"@nl .
csc:WDZLGCSJJWEQJO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11603678;
dbo:casNumber "41997-13-1";
dbo:formula "C6H2F13NO2S";
dbo:inchi "InChI=1S/C6H2F13NO2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H2,20,21,22)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide"@en;
dbo:pubchem "11603678"^^xsd:int;
dbo:smiles "C(C(C(C(F)(F)S(=O)(=O)N)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F";
dbp:inchikey "WDZLGCSJJWEQJO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003966;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFHxSA";
skos:prefLabel "perfluorhexaansulfonamide"@nl .
csc:WGQKYBSKWIADBV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7504;
dbo:casNumber "100-46-9";
dbo:formula "C7H9N";
dbo:inchi "InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2";
dbo:iupacName "phenylmethanamine"@en;
dbo:pubchem "7504"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)CN";
dbp:inchikey "WGQKYBSKWIADBV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000185;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzAe";
skos:prefLabel "benzylamine"@nl .
csc:XUAWBXBYHDRROL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso compound:38306;
dbo:casNumber "39635-31-9";
dbo:formula "C12H3Cl7";
dbo:inchi "InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H";
dbo:iupacName "1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene"@en;
dbo:pubchem "38306"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl";
dbp:inchikey "XUAWBXBYHDRROL-UHFFFAOYSA-N";
skos:altLabel "2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)"@nl , "pcb 189"@nl , "PCB 189"@nl;
skos:broader csc:CHEMONTID_0003030;
skos:exactMatch wise:CAS_39635-31-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB189";
skos:prefLabel "2,3,3',4,4',5,5 '-heptachlorobifenyl"@nl .
csc:AMEKQAFGQBKLKX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:21330;
dbo:casNumber "5259-88-1";
dbo:formula "C12H13NO4S";
dbo:inchi "InChI=1S/C12H13NO4S/c1-9-11(18(15,16)8-7-17-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)";
dbo:iupacName "2-methyl-4,4-dioxo-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide"@en;
dbo:pubchem "21330"^^xsd:int;
dbo:smiles "CC1=C(S(=O)(=O)CCO1)C(=O)NC2=CC=CC=C2";
dbp:inchikey "AMEKQAFGQBKLKX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000285;
skos:inScheme vlcs:chemische_stof;
skos:notation "OxcbOxn";
skos:prefLabel "oxycarboxin"@nl .
csc:PPDBOQMNKNNODG-ZROIWOOFSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6436449;
dbo:casNumber "131983-72-7";
dbo:formula "C17H20ClN3O";
dbo:inchi "InChI=1S/C17H20ClN3O/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/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-";
dbo:iupacName "(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol"@en;
dbo:pubchem "6436449"^^xsd:int;
dbo:smiles "CC1(CCC(=CC2=CC=C(C=C2)Cl)C1(CN3C=NC=N3)O)C";
dbp:inchikey "PPDBOQMNKNNODG-ZROIWOOFSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ttcnzl";
skos:prefLabel "triticonazool"@nl .
csc:QILSFLSDHQAZET-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7037;
dbo:casNumber "91-01-0";
dbo:formula "C13H12O";
dbo:inchi "InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H";
dbo:iupacName "di(phenyl)methanol"@en;
dbo:pubchem "7037"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)O";
dbp:inchikey "QILSFLSDHQAZET-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "aFyBenC1ol";
skos:prefLabel "alfa-fenylbenzeenmethanol"@nl .
csc:DECPGQLXYYCNEZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:90714;
dbo:casNumber "25103-12-2" , "51845-93-3" , "5406-92-8";
dbo:formula "C24H51O3P";
dbo:inchi "InChI=1S/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3";
dbo:iupacName "tris(6-methylheptyl) phosphite"@en;
dbo:pubchem "90714"^^xsd:int;
dbo:smiles "CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C";
dbp:inchikey "DECPGQLXYYCNEZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004484;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC8yPO4";
skos:prefLabel "trioctylfosfaat"@nl .
csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:674;
dbo:casNumber "124-40-3";
dbo:formula "C2H7N";
dbo:inchi "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3";
dbo:iupacName "N-Methylmethanamine"@en;
dbo:pubchem "674"^^xsd:int;
dbo:smiles "CNC";
dbp:inchikey "ROSDSFDQCJNGOL-UHFFFAOYSA-N";
skos:altLabel "dimethylamine "@nl;
skos:broader csc:CHEMONTID_0002228;
skos:exactMatch wise:CAS_124-40-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1yAe";
skos:prefLabel "dimethylamine"@nl .
csc:AHOUBRCZNHFOSL-YOEHRIQHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:43815;
dbo:casNumber "63952-24-9" , "61869-08-7" , "110429-35-1";
dbo:formula "C19H20FNO3";
dbo:inchi "InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1";
dbo:iupacName "(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine"@en;
dbo:pubchem "43815"^^xsd:int;
dbo:smiles "C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4";
dbp:inchikey "AHOUBRCZNHFOSL-YOEHRIQHSA-N";
skos:broader csc:CHEMONTID_0000303;
skos:inScheme vlcs:chemische_stof;
skos:notation "paroetne";
skos:prefLabel "paroxetine"@nl .
csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:14210;
dbo:casNumber "1113-02-6";
dbo:formula "C5H12NO4PS";
dbo:inchi "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)";
dbo:iupacName "2-dimethoxyphosphorylsulfanyl-N-methylacetamide"@en;
dbo:pubchem "14210"^^xsd:int;
dbo:smiles "CNC(=O)CSP(=O)(OC)OC";
dbp:inchikey "PZXOQEXFMJCDPG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001663;
skos:exactMatch wise:CAS_1113-02-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "omtat";
skos:prefLabel "omethoaat"@nl .
csc:XXPRRHYTDCWGRP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:72384;
dbo:casNumber "27177-05-5" , "41506-14-3";
dbo:formula "C31H56O9";
dbo:inchi "InChI=1S/C31H56O9/c1-2-3-4-5-6-7-8-9-30-10-12-31(13-11-30)40-29-28-39-27-26-38-25-24-37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32/h10-13,32H,2-9,14-29H2,1H3";
dbo:iupacName "2-[2-[2-[2-[2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en;
dbo:pubchem "72384"^^xsd:int;
dbo:smiles "CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCO";
dbp:inchikey "XXPRRHYTDCWGRP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003338;
skos:inScheme vlcs:chemische_stof;
skos:notation "NPEO8";
skos:prefLabel "nonylfenoloctaethoxylaat"@nl .
csc:AEMFNILZOJDQLW-QAGGRKNESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6128;
dbo:casNumber "63-05-8" , "104534-78-3" , "117598-81-9";
dbo:formula "C19H26O2";
dbo:inchi "InChI=1S/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1";
dbo:iupacName "(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione"@en;
dbo:pubchem "6128"^^xsd:int;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C";
dbp:inchikey "AEMFNILZOJDQLW-QAGGRKNESA-N";
skos:broader csc:CHEMONTID_0001467;
skos:inScheme vlcs:chemische_stof;
skos:notation "andtdn";
skos:prefLabel "androsteendion"@nl .
csc:NBQCNZYJJMBDKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:22188;
dbo:casNumber "5902-51-2";
dbo:formula "C9H13ClN2O2";
dbo:inchi "InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)";
dbo:iupacName "3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione"@en;
dbo:pubchem "22188"^^xsd:int;
dbo:smiles "CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl";
dbp:inchikey "NBQCNZYJJMBDKY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001893;
skos:inScheme vlcs:chemische_stof;
skos:notation "terbcl";
skos:prefLabel "terbacil"@nl .
csc:BTZVKSVLFLRBRE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:51132;
dbo:casNumber "70657-70-4";
dbo:formula "C6H12O3";
dbo:inchi "InChI=1S/C6H12O3/c1-5(8-3)4-9-6(2)7/h5H,4H2,1-3H3";
dbo:iupacName "2-Methoxypropyl acetate"@en;
dbo:pubchem "51132"^^xsd:int;
dbo:smiles "CC(COC(=O)C)OC";
dbp:inchikey "BTZVKSVLFLRBRE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1oxC3yactt";
skos:prefLabel "2-methoxypropylacetaat"@nl .
csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2 'koolstofmonoxide'"@nl , "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'"@nl , "VLAR II (D2) 'koolmonoxide'"@nl , "VLAR III (D3, diverse art) 'CO'"@nl;
rdfs:seeAlso compound:281;
dbo:casNumber "155399-52-3" , "82063-46-5" , "153929-54-5" , "630-08-0" , "167416-30-0" , "162342-48-5" , "192819-80-0" , "18421-60-8";
dbo:formula "CO";
dbo:inchi "InChI=1S/CO/c1-2";
dbo:iupacName "carbon monoxide"@en;
dbo:pubchem "281"^^xsd:int;
dbo:smiles "[C-]#[O+]";
dbp:inchikey "UGFAIRIUMAVXCW-UHFFFAOYSA-N";
skos:altLabel "koolmonoxide"@nl , "koolstofmonoxide (CO)"@nl;
skos:broader csc:CHEMONTID_0000434;
skos:inScheme vlcs:chemische_stof;
skos:notation "CO";
skos:prefLabel "koolstofmonoxide"@nl .
csc:KZWPFFFDRDASOU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:15997;
dbo:casNumber "1928-45-6" , "1320-18-9";
dbo:formula "C15H20Cl2O4";
dbo:inchi "InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3";
dbo:iupacName "3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate"@en;
dbo:pubchem "15997"^^xsd:int;
dbo:smiles "CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "KZWPFFFDRDASOU-UHFFFAOYSA-N";
skos:altLabel "2,4-d propyleen glycol butyl ether ester"@nl;
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DC3yegC4yE";
skos:prefLabel "2,4-D propyleen glycol butyl ether ester"@nl .
csc:AOJJSUZBOXZQNB-TZSSRYMLSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:31703;
dbo:casNumber "24385-08-8" , "25311-50-6" , "29042-30-6" , "23257-17-2" , "23214-92-8";
dbo:formula "C27H29NO11";
dbo:inchi "InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1";
dbo:iupacName "(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione"@en;
dbo:pubchem "31703"^^xsd:int;
dbo:smiles "CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O";
dbp:inchikey "AOJJSUZBOXZQNB-TZSSRYMLSA-N";
skos:broader csc:CHEMONTID_0002106;
skos:inScheme vlcs:chemische_stof;
skos:notation "doxrbcne";
skos:prefLabel "doxorubicine"@nl .
csc:GVJHHUAWPYXKBD-IEOSBIPESA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:14985;
dbo:casNumber "11105-14-9" , "181591-70-8" , "25094-97-7" , "16826-11-2" , "1406-18-4" , "59-02-9" , "4072-33-7" , "10191-41-0";
dbo:formula "C29H50O2";
dbo:inchi "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1";
dbo:iupacName "(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL"@en;
dbo:pubchem "14985"^^xsd:int;
dbo:smiles "CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C";
dbp:inchikey "GVJHHUAWPYXKBD-IEOSBIPESA-N";
skos:altLabel "alfa-tocoferol (Vitamine E)"@nl;
skos:broader csc:CHEMONTID_0000201;
skos:inScheme vlcs:chemische_stof;
skos:notation "atcfrl";
skos:prefLabel "alfa-tocoferol (vitamine e)"@nl .
csc:BACHBFVBHLGWSL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:39985;
dbo:casNumber "51338-27-3" , "51142-56-4" , "75045-48-6";
dbo:formula "C16H14Cl2O4";
dbo:inchi "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3";
dbo:iupacName "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate"@en;
dbo:pubchem "39985"^^xsd:int;
dbo:smiles "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl";
dbp:inchikey "BACHBFVBHLGWSL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "DcfC1y";
skos:prefLabel "diclofop-methyl"@nl .
csc:VUTHWSUXEOILTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:26449;
dbo:casNumber "14086-35-2";
dbo:formula "C10H15O6PS";
dbo:inchi "InChI=1S/C10H15O6PS/c1-8-7-9(16-17(11,14-2)15-3)5-6-10(8)18(4,12)13/h5-7H,1-4H3";
dbo:iupacName "dimethyl (3-methyl-4-methylsulfonylphenyl) phosphate"@en;
dbo:pubchem "26449"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C";
dbp:inchikey "VUTHWSUXEOILTN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004233;
skos:inScheme vlcs:chemische_stof;
skos:notation "fentoOosfn";
skos:prefLabel "fenthion-oxon-sulfon"@nl .
csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91773;
dbo:casNumber "112410-23-8" , "142583-69-5";
dbo:formula "C22H28N2O2";
dbo:inchi "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)";
dbo:iupacName "N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide"@en;
dbo:pubchem "91773"^^xsd:int;
dbo:smiles "CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C";
dbp:inchikey "QYPNKSZPJQQLRK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000176;
skos:inScheme vlcs:chemische_stof;
skos:notation "tebfnzde";
skos:prefLabel "tebufenozide"@nl .
csc:HUKPVYBUJRAUAG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6697;
dbo:casNumber "116495-96-6" , "57608-35-2" , "82-05-3";
dbo:formula "C17H10O";
dbo:inchi "InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H";
dbo:iupacName "benzo[a]phenalen-7-one"@en;
dbo:pubchem "6697"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O";
dbp:inchikey "HUKPVYBUJRAUAG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000025;
skos:inScheme vlcs:chemische_stof;
skos:notation "Benztn";
skos:prefLabel "benzanthron"@nl .
csc:OJOWICOBYCXEKR-KRXBUXKQSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5365543;
dbo:casNumber "62181-74-2" , "59006-74-5" , "16219-75-3";
dbo:formula "C9H12";
dbo:inchi "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+";
dbo:iupacName "['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene']"@en;
dbo:pubchem "5365543"^^xsd:int;
dbo:smiles "CC=C1CC2CC1C=C2";
dbp:inchikey "OJOWICOBYCXEKR-KRXBUXKQSA-N";
skos:broader csc:CHEMONTID_0004622;
skos:inScheme vlcs:chemische_stof;
skos:notation "5C2yid2nbnn";
skos:prefLabel "5-ethylideen-2-norborneen"@nl .
csc:UBUCNCOMADRQHX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6838;
dbo:casNumber "86-30-6";
dbo:formula "C12H10N2O";
dbo:inchi "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H";
dbo:iupacName "N,N-di(phenyl)nitrous amide"@en;
dbo:pubchem "6838"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O";
dbp:inchikey "UBUCNCOMADRQHX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000113;
skos:inScheme vlcs:chemische_stof;
skos:notation "DFyNOAe";
skos:prefLabel "difenylnitrosamine"@nl .
csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:2566;
dbo:casNumber "1563-66-2";
dbo:formula "C12H15NO3";
dbo:inchi "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)";
dbo:iupacName "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate"@en;
dbo:pubchem "2566"^^xsd:int;
dbo:smiles "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C";
dbp:inchikey "DUEPRVBVGDRKAG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004189;
skos:inScheme vlcs:chemische_stof;
skos:notation "carbfrn";
skos:prefLabel "carbofuran"@nl .
csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3017;
dbo:casNumber "27936-40-9" , "65863-03-8" , "333-41-5" , "30583-38-1";
dbo:formula "C12H21N2O3PS";
dbo:inchi "InChI=1S/C12H21N2O3PS/c1-6-15-18(19,16-7-2)17-11-8-10(5)13-12(14-11)9(3)4/h8-9H,6-7H2,1-5H3";
dbo:iupacName "diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane"@en;
dbo:pubchem "3017"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C";
dbp:inchikey "FHIVAFMUCKRCQO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004771;
skos:exactMatch wise:CAS_333-41-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "Daznn";
skos:prefLabel "diazinon"@nl .
csc:VLKZOEOYAKHREP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'"@nl;
rdfs:seeAlso compound:8058;
dbo:casNumber "8031-34-3" , "110-54-3" , "92112-69-1" , "68476-44-8";
dbo:formula "C6H14";
dbo:inchi "InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3";
dbo:iupacName "Hexane"@en;
dbo:pubchem "8058"^^xsd:int;
dbo:smiles "CCCCCC";
dbp:inchikey "VLKZOEOYAKHREP-UHFFFAOYSA-N";
skos:altLabel "n-hexaan"@nl;
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C6a";
skos:prefLabel "hexaan"@nl .
csc:CPELXLSAUQHCOX-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:259;
dbo:casNumber "7726-95-6" , "24959-67-9";
dbo:formula "Br-";
dbo:inchi "InChI=1S/BrH/h1H/p-1";
dbo:iupacName "bromide"@en;
dbo:pubchem "259"^^xsd:int;
dbo:smiles "[Br-]";
dbp:inchikey "CPELXLSAUQHCOX-UHFFFAOYSA-M";
skos:altLabel "bromide"@nl;
skos:broader csc:CHEMONTID_0000548;
skos:exactMatch wise:CAS_24959-67-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "Br2" , "Br";
skos:prefLabel "dibroom"@nl .
csc:UGJMXCAKCUNAIE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3446;
dbo:casNumber "60142-96-3";
dbo:formula "C9H17NO2";
dbo:inchi "InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)";
dbo:iupacName "2-[1-(aminomethyl)cyclohexyl]acetic acid"@en;
dbo:pubchem "3446"^^xsd:int;
dbo:smiles "C1CCC(CC1)(CC(=O)O)CN";
dbp:inchikey "UGJMXCAKCUNAIE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001880;
skos:inScheme vlcs:chemische_stof;
skos:notation "gabptne";
skos:prefLabel "gabapentine"@nl .
csc:IZEKFCXSFNUWAM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3108;
dbo:casNumber "58-32-2";
dbo:formula "C24H40N8O4";
dbo:inchi "InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2";
dbo:iupacName "2-[[2-(bis(2-hydroxyethyl)amino)-4,8-di(piperidin-1-yl)pyrimido[6,5-e]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol"@en;
dbo:pubchem "3108"^^xsd:int;
dbo:smiles "C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO";
dbp:inchikey "IZEKFCXSFNUWAM-UHFFFAOYSA-N";
skos:altLabel "dipyramidol"@nl;
skos:broader csc:CHEMONTID_0003901;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dpyrdml";
skos:prefLabel "dipyridamol"@nl .
csc:QQQYTWIFVNKMRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:37123;
dbo:casNumber "35367-38-5" , "66594-18-1" , "51026-04-1" , "104790-81-0" , "53026-03-2";
dbo:formula "C14H9ClF2N2O2";
dbo:inchi "InChI=1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)";
dbo:iupacName "N-[(4-chlorophenyl)carbamoyl]-2,6-difluorobenzamide"@en;
dbo:pubchem "37123"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl)F";
dbp:inchikey "QQQYTWIFVNKMRW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004513;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dfbzrn";
skos:prefLabel "diflubenzuron"@nl .
csc:IUZFQERQUZLNKQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:34322;
dbo:casNumber "28772-56-7";
dbo:formula "C30H23BrO4";
dbo:inchi "InChI=1S/C30H23BrO4/c31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h1-17,25-26,32,34H,18H2";
dbo:iupacName "3-[3-[4-(4-bromophenyl)phenyl]-3-hydroxy-1-phenylpropyl]-2-hydroxychromen-4-one"@en;
dbo:pubchem "34322"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O)C4=C(OC5=CC=CC=C5C4=O)O";
dbp:inchikey "IUZFQERQUZLNKQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002651;
skos:inScheme vlcs:chemische_stof;
skos:notation "bromdoln";
skos:prefLabel "bromadiolon"@nl .
csc:TWXDDNPPQUTEOV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:9306;
dbo:casNumber "300-42-5" , "4298-16-2";
dbo:formula "C10H16ClN";
dbo:inchi "InChI=1S/C10H15N.ClH/c1-9(11-2)8-10-6-4-3-5-7-10;/h3-7,9,11H,8H2,1-2H3;1H";
dbo:iupacName "N-methyl-1-phenylpropan-2-amine hydrochloride"@en;
dbo:pubchem "9306"^^xsd:int;
dbo:smiles "CC(CC1=CC=CC=C1)NC.Cl";
dbp:inchikey "TWXDDNPPQUTEOV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000188;
skos:inScheme vlcs:chemische_stof;
skos:notation "methafAeHCl";
skos:prefLabel "methamfetamine hydrochloride"@nl .
csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:8821;
dbo:casNumber "87605-70-7" , "116404-62-7" , "37199-30-7" , "169238-64-6" , "140-88-5" , "9003-32-1" , "153313-65-6";
dbo:formula "C5H8O2";
dbo:inchi "InChI=1S/C5H8O2/c1-3-5(6)7-4-2/h3H,1,4H2,2H3";
dbo:iupacName "ethyl prop-2-enoate"@en;
dbo:pubchem "8821"^^xsd:int;
dbo:smiles "CCOC(=O)C=C";
dbp:inchikey "JIGUQPWFLRLWPJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004452;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yaclt";
skos:prefLabel "ethylacrylaat"@nl .
csc:UNFUYWDGSFDHCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:10952;
dbo:casNumber "542-18-7";
dbo:formula "C6H11Cl";
dbo:inchi "InChI=1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2";
dbo:iupacName "Chlorocyclohexane"@en;
dbo:pubchem "10952"^^xsd:int;
dbo:smiles "C1CCC(CC1)Cl";
dbp:inchikey "UNFUYWDGSFDHCW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004485;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClccC6a";
skos:prefLabel "chloorcyclohexaan"@nl .
csc:RAOIDOHSFRTOEL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:1127;
dbo:casNumber "110-01-0";
dbo:formula "C4H8S";
dbo:inchi "InChI=1S/C4H8S/c1-2-4-5-3-1/h1-4H2";
dbo:iupacName "Thiolane"@en;
dbo:pubchem "1127"^^xsd:int;
dbo:smiles "C1CCSC1";
dbp:inchikey "RAOIDOHSFRTOEL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000233;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4Htofn";
skos:prefLabel "tetrahydrothiofeen"@nl .
csc:MZHCENGPTKEIGP-RXMQYKEDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:119435;
dbo:casNumber "15165-67-0";
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)/t5-/m1/s1";
dbo:iupacName "(2R)-2-(2,4-dichlorophenoxy)propanoic acid"@en;
dbo:pubchem "119435"^^xsd:int;
dbo:smiles "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "MZHCENGPTKEIGP-RXMQYKEDSA-N";
skos:altLabel "dichloorprop-p"@nl;
skos:broader csc:CHEMONTID_0004676;
skos:inScheme vlcs:chemische_stof;
skos:notation "DClppP";
skos:prefLabel "dichloorprop-P"@nl .
csc:CAABRJFUDNBRJZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23827;
dbo:casNumber "7364-20-7";
dbo:formula "C10H12O2";
dbo:inchi "InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3";
dbo:iupacName "Methyl 4-ethylbenzoate"@en;
dbo:pubchem "23827"^^xsd:int;
dbo:smiles "CCC1=CC=C(C=C1)C(=O)OC";
dbp:inchikey "CAABRJFUDNBRJZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C2ybzezC1yE";
skos:prefLabel "4-ethylbenzoezuur methylester"@nl .
csc:SBLPWPLKGFWLKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:43239;
dbo:casNumber "60238-56-4";
dbo:formula "C11H15Cl2O3PS2";
dbo:inchi "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-8-6-9(12)11(13)10(7-8)19-3/h6-7H,4-5H2,1-3H3";
dbo:iupacName "(3,4-dichloro-5-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "43239"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C(=C1)Cl)Cl)SC";
dbp:inchikey "SBLPWPLKGFWLKK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "cltofs";
skos:prefLabel "chloorthiofos"@nl .
csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3589;
dbo:casNumber "23720-59-4" , "37229-06-4" , "76-44-8";
dbo:formula "C10H5Cl7";
dbo:inchi "InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H";
dbo:iupacName "1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene"@en;
dbo:pubchem "3589"^^xsd:int;
dbo:smiles "C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "FRCCEHPWNOQAEU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002863;
skos:exactMatch wise:CAS_76-44-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "HpCl";
skos:prefLabel "heptachloor"@nl .
csc:XCEYKKJMLOFDSS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:70272;
dbo:casNumber "932-96-7";
dbo:formula "C7H8ClN";
dbo:inchi "InChI=1S/C7H8ClN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3";
dbo:iupacName "4-Chloro-N-methylaniline"@en;
dbo:pubchem "70272"^^xsd:int;
dbo:smiles "CNC1=CC=C(C=C1)Cl";
dbp:inchikey "XCEYKKJMLOFDSS-UHFFFAOYSA-N";
skos:altLabel "4-chloor-N-methylaniline"@nl;
skos:broader csc:CHEMONTID_0003924;
skos:inScheme vlcs:chemische_stof;
skos:notation "4ClNC1yAn";
skos:prefLabel "4-chloor-n-methylaniline"@nl .
csc:LGUZHRODIJCVOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:9553;
dbo:casNumber "156930-32-4" , "335-57-9";
dbo:formula "C7F16";
dbo:inchi "InChI=1S/C7F16/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)23";
dbo:iupacName "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane"@en;
dbo:pubchem "9553"^^xsd:int;
dbo:smiles "C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "LGUZHRODIJCVOC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "hexdcFC7a";
skos:prefLabel "hexadecafluorheptaan"@nl .
csc:PUQIRTNPJRFRCZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62936;
dbo:casNumber "56392-14-4";
dbo:formula "C14H21NO4";
dbo:inchi "InChI=1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)";
dbo:iupacName "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetic acid"@en;
dbo:pubchem "62936"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)O)O";
dbp:inchikey "PUQIRTNPJRFRCZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "metpllzr";
skos:prefLabel "metoprololzuur"@nl .
csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7850;
dbo:casNumber "107-05-1";
dbo:formula "C3H5Cl";
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2";
dbo:iupacName "3-chloroprop-1-ene"@en;
dbo:pubchem "7850"^^xsd:int;
dbo:smiles "C=CCCl";
dbp:inchikey "OSDWBNJEKMUWAV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:exactMatch wise:CAS_107-05-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "3ClC3e";
skos:prefLabel "3-chloorpropeen"@nl .
csc:MWBPRDONLNQCFV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5543;
dbo:casNumber "2303-17-5";
dbo:formula "C10H16Cl3NOS";
dbo:inchi "InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3";
dbo:iupacName "S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate"@en;
dbo:pubchem "5543"^^xsd:int;
dbo:smiles "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl";
dbp:inchikey "MWBPRDONLNQCFV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001368;
skos:exactMatch wise:CAS_2303-17-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "Talt";
skos:prefLabel "triallaat"@nl .
csc:QFOHBWFCKVYLES-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7184;
dbo:casNumber "8068-49-3" , "94-26-8";
dbo:formula "C11H14O3";
dbo:inchi "InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7,12H,2-3,8H2,1H3";
dbo:iupacName "Butyl 4-hydroxybenzoate"@en;
dbo:pubchem "7184"^^xsd:int;
dbo:smiles "CCCCOC(=O)C1=CC=C(C=C1)O";
dbp:inchikey "QFOHBWFCKVYLES-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004702;
skos:inScheme vlcs:chemische_stof;
skos:notation "C4yprbn";
skos:prefLabel "butylparabeen"@nl .
csc:GWXLDORMOJMVQZ-OUBTZVSYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:104814;
dbo:casNumber "13967-74-3";
dbo:formula "Ce";
dbo:inchi "InChI=1S/Ce/i1+1";
dbo:iupacName "cerium-141"@en;
dbo:pubchem "104814"^^xsd:int;
dbo:smiles "[Ce]";
dbp:inchikey "GWXLDORMOJMVQZ-OUBTZVSYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ce141";
skos:prefLabel "cerium 141"@nl .
csc:NMBXMBCZBXUXAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:39966;
dbo:casNumber "60327-85-7" , "51249-05-9";
dbo:formula "C18H38NO3P";
dbo:inchi "InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3";
dbo:iupacName "N-butyl-1-dibutoxyphosphorylcyclohexan-1-amine"@en;
dbo:pubchem "39966"^^xsd:int;
dbo:smiles "CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC";
dbp:inchikey "NMBXMBCZBXUXAM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004482;
skos:inScheme vlcs:chemische_stof;
skos:notation "bumnfs";
skos:prefLabel "buminafos"@nl .
csc:AFIIBUOYKYSPKB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:3032472;
dbo:casNumber "4658-28-0";
dbo:formula "C7H11N7S";
dbo:inchi "InChI=1S/C7H11N7S/c1-4(2)9-5-10-6(13-14-8)12-7(11-5)15-3/h4H,1-3H3,(H,9,10,11,12)";
dbo:iupacName "4-azido-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazin-2-amine"@en;
dbo:pubchem "3032472"^^xsd:int;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]";
dbp:inchikey "AFIIBUOYKYSPKB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004735;
skos:inScheme vlcs:chemische_stof;
skos:notation "azptn";
skos:prefLabel "aziprotryn"@nl .
csc:JSFUMBWFPQSADC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:17190;
dbo:casNumber "2475-45-8";
dbo:formula "C14H12N4O2";
dbo:inchi "InChI=1S/C14H12N4O2/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4H,15-18H2";
dbo:iupacName "1,4,5,8-tetraaminoanthracene-9,10-dione"@en;
dbo:pubchem "17190"^^xsd:int;
dbo:smiles "C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N";
dbp:inchikey "JSFUMBWFPQSADC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000151;
skos:inScheme vlcs:chemische_stof;
skos:notation "1458T4Ao910a";
skos:prefLabel "1,4,5,8-tetraamino-9,10-anthrachinon"@nl .
csc:QRTMTZAUGTXZOA-ZGYDFYMOSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5282371;
dbo:casNumber "6153-64-6";
dbo:formula "C22H28N2O11";
dbo:inchi "InChI=1S/C22H24N2O9.2H2O/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;;/h4-6,12-14,17,25-26,28,31-33H,23H2,1-3H3;2*1H2/b20-11-;;/t12-,13-,14+,17+,21-,22+;;/m1../s1";
dbo:iupacName "(2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate"@en;
dbo:pubchem "5282371"^^xsd:int;
dbo:smiles "CC1(C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)N(C)C)O)O.O.O";
dbp:inchikey "QRTMTZAUGTXZOA-ZGYDFYMOSA-N";
skos:broader csc:CHEMONTID_0000181;
skos:inScheme vlcs:chemische_stof;
skos:notation "OxT4ccne";
skos:prefLabel "oxytetracycline"@nl .
csc:OWQCHLFKOGVODW-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:25210512;
dbo:casNumber "73606-19-6";
dbo:formula "C8ClF16KO4S";
dbo:inchi "InChI=1S/C8HClF16O4S.K/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1";
dbo:iupacName "potassium;2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonate"@en;
dbo:pubchem "25210512"^^xsd:int;
dbo:smiles "C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.[K+]";
dbp:inchikey "OWQCHLFKOGVODW-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0001179;
skos:inScheme vlcs:chemische_stof;
skos:notation "9Cl-PF3ONS";
skos:prefLabel "9-Chloorhexadecafluor-3-oxanonaansulfonzuur"@nl .
csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:1988;
dbo:casNumber "123113-74-6" , "34256-82-1";
dbo:formula "C14H20ClNO2";
dbo:inchi "InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3";
dbo:iupacName "2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide"@en;
dbo:pubchem "1988"^^xsd:int;
dbo:smiles "CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C";
dbp:inchikey "VTNQPKFIQCLBDU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000285;
skos:exactMatch wise:CAS_34256-82-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "actCl";
skos:prefLabel "acetochloor"@nl .
csc:YTDHEFNWWHSXSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:18998;
dbo:casNumber "3481-20-7";
dbo:formula "C6H3Cl4N";
dbo:inchi "InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2";
dbo:iupacName "2,3,5,6-Tetrachloroaniline"@en;
dbo:pubchem "18998"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl";
dbp:inchikey "YTDHEFNWWHSXSU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "2356T4ClAn";
skos:prefLabel "2,3,5,6-tetrachlooraniline"@nl .
csc:NTIZESTWPVYFNL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:7909;
dbo:casNumber "108-10-1";
dbo:formula "C6H12O";
dbo:inchi "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3";
dbo:iupacName "4-Methylpentan-2-one"@en;
dbo:pubchem "7909"^^xsd:int;
dbo:smiles "CC(C)CC(=O)C";
dbp:inchikey "NTIZESTWPVYFNL-UHFFFAOYSA-N";
skos:altLabel "4-methyl-2-pentanon (MIBK)"@nl , "4-methyl-2-pentanon (mibk)"@nl;
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1y2C5on";
skos:prefLabel "4-methyl-2-pentanon"@nl .
csc:JHWNWJKBPDFINM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13690;
dbo:casNumber "70099-82-0" , "115296-77-0" , "148308-40-1" , "161865-23-2" , "125081-69-8" , "115296-76-9" , "25038-74-8" , "947-04-6";
dbo:formula "C12H23NO";
dbo:inchi "InChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)";
dbo:iupacName "1-azacyclotridecan-2-one"@en;
dbo:pubchem "13690"^^xsd:int;
dbo:smiles "C1CCCCCC(=O)NCCCCC1";
dbp:inchikey "JHWNWJKBPDFINM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000064;
skos:inScheme vlcs:chemische_stof;
skos:notation "azccC13on2";
skos:prefLabel "azacyclotridecan-2-on"@nl .
csc:XXROGKLTLUQVRX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7858;
dbo:casNumber "107-18-6";
dbo:formula "C3H6O";
dbo:inchi "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2";
dbo:iupacName "prop-2-en-1-ol"@en;
dbo:pubchem "7858"^^xsd:int;
dbo:smiles "C=CCO";
dbp:inchikey "XXROGKLTLUQVRX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000286;
skos:inScheme vlcs:chemische_stof;
skos:notation "allachl";
skos:prefLabel "allylalcohol"@nl .
csc:SAPGTCDSBGMXCD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:91683;
dbo:casNumber "63284-71-9" , "109023-55-4" , "75872-04-7";
dbo:formula "C17H12ClFN2O";
dbo:inchi "InChI=1S/C17H12ClFN2O/c18-16-4-2-1-3-15(16)17(22,13-9-20-11-21-10-13)12-5-7-14(19)8-6-12/h1-11,22H";
dbo:iupacName "(2-chlorophenyl)-(4-fluorophenyl)-pyrimidin-5-ylmethanol"@en;
dbo:pubchem "91683"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl";
dbp:inchikey "SAPGTCDSBGMXCD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "nuarml";
skos:prefLabel "nuarimol"@nl .
csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'"@nl , "VLAR III (D3, diverse art) 'Co'"@nl , "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'"@nl , "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'"@nl;
rdfs:seeAlso compound:104730;
dbo:casNumber "7440-48-4" , "16610-75-6";
dbo:formula "Co";
dbo:inchi "InChI=1S/Co";
dbo:iupacName "Cobalt"@en;
dbo:pubchem "104730"^^xsd:int;
dbo:smiles "[Co]";
dbp:inchikey "GUTLYIVDDKVIGB-UHFFFAOYSA-N";
skos:altLabel "kobalt (Co)"@nl , "kobalt"@nl;
skos:broader csc:CHEMONTID_0000426;
skos:definition "kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)"@nl;
skos:exactMatch wise:CAS_7440-48-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "Co";
skos:prefLabel "Kobalt"@nl .
csc:CCEKAJIANROZEO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:77797;
dbo:casNumber "4151-50-2";
dbo:formula "C10H6F17NO2S";
dbo:inchi "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3";
dbo:iupacName "N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide"@en;
dbo:pubchem "77797"^^xsd:int;
dbo:smiles "CCNS(=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 "CCEKAJIANROZEO-UHFFFAOYSA-N";
skos:altLabel "n-ethylperfluoroctaan-1-sulfonamide (etpfosa)"@nl , "N-ethyl perfluoroctaansulfonamide"@nl , "N-ethylperfluoroctaansulfonamide"@nl , "n-ethylperfluor-n-octaansulfonamide (etpfosa)"@nl , "n-ethyl perfluoroctaansulfonamide"@nl;
skos:broader csc:CHEMONTID_0003960;
skos:inScheme vlcs:chemische_stof;
skos:notation "EtPFOSA" , "EtFOSA";
skos:prefLabel "n-ethylperfluor-n-octaansulfonamide"@nl .
csc:OROAFUQRIXKEMV-LDADJPATSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5281037;
dbo:casNumber "133040-01-4";
dbo:formula "C23H24N2O4S";
dbo:inchi "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+";
dbo:iupacName "4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid"@en;
dbo:pubchem "5281037"^^xsd:int;
dbo:smiles "CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O";
dbp:inchikey "OROAFUQRIXKEMV-LDADJPATSA-N";
skos:broader csc:CHEMONTID_0002565;
skos:inScheme vlcs:chemische_stof;
skos:notation "epstn";
skos:prefLabel "eprosartan"@nl .
csc:WEEGYLXZBRQIMU-WAAGHKOSSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
dbo:casNumber "8024-52-0" , "470-82-6" , "8024-53-1" , "10458-11-4";
dbo:formula "0";
dbo:inchi "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+";
dbo:iupacName "4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane"@en;
dbo:smiles "0";
dbp:inchikey "WEEGYLXZBRQIMU-WAAGHKOSSA-N";
skos:broader csc:CHEMONTID_0002012;
skos:inScheme vlcs:chemische_stof;
skos:notation "18cinole";
skos:prefLabel "1,8-cineole"@nl .
csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3036;
dbo:casNumber "50-29-3";
dbo:formula "C14H9Cl5";
dbo:inchi "InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H";
dbo:iupacName "1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene"@en;
dbo:pubchem "3036"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl";
dbp:inchikey "YVGGHNCTFXOJCH-UHFFFAOYSA-N";
skos:altLabel "4,4'-dichloordifenyltrichloorethaan"@nl , "p,p'-ddt"@nl , "p,p’-ddt"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:exactMatch wise:CAS_50-29-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DDT";
skos:prefLabel "pp'dichloordifenyltrichloorethaan"@nl .
csc:ZOCSXAVNDGMNBV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3352;
dbo:casNumber "120068-37-3";
dbo:formula "C12H4Cl2F6N4OS";
dbo:inchi "InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2";
dbo:iupacName "5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile"@en;
dbo:pubchem "3352"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)C(F)(F)F)N)Cl)C(F)(F)F";
dbp:inchikey "ZOCSXAVNDGMNBV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "fipnl";
skos:prefLabel "fipronil"@nl .
csc:PJDFLNIOAUIZSL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5665;
dbo:casNumber "60643-86-9" , "74046-07-4";
dbo:formula "C6H11NO2";
dbo:inchi "InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)";
dbo:iupacName "4-aminohex-5-enoic acid"@en;
dbo:pubchem "5665"^^xsd:int;
dbo:smiles "C=CC(CCC(=O)O)N";
dbp:inchikey "PJDFLNIOAUIZSL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001880;
skos:inScheme vlcs:chemische_stof;
skos:notation "vigbtne";
skos:prefLabel "vigabatrine"@nl .
csc:SKDNDVDHYMEGNJ-VURMDHGXSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6433494;
dbo:casNumber "7166-19-0";
dbo:formula "C8H6BrNO2";
dbo:inchi "InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6-";
dbo:iupacName "[(E)-2-bromo-2-nitroethenyl]benzene"@en;
dbo:pubchem "6433494"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C=C([N+](=O)[O-])Br";
dbp:inchikey "SKDNDVDHYMEGNJ-VURMDHGXSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "bBrbNO2srn";
skos:prefLabel "beta-broom-beta-nitrostyreen"@nl .
csc:VWGNFIQXBYRDCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:67150;
dbo:casNumber "122-95-2";
dbo:formula "C10H14O2";
dbo:inchi "InChI=1S/C10H14O2/c1-3-11-9-5-7-10(8-6-9)12-4-2/h5-8H,3-4H2,1-2H3";
dbo:iupacName "1,4-Diethoxybenzene"@en;
dbo:pubchem "67150"^^xsd:int;
dbo:smiles "CCOC1=CC=C(C=C1)OCC";
dbp:inchikey "VWGNFIQXBYRDCH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "14DC2oxBen";
skos:prefLabel "1,4-diethoxybenzeen"@nl .
csc:BGDCQZFFNFXYQC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:83315;
dbo:casNumber "13290-74-9";
dbo:formula "C7H6ClNO2";
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3";
dbo:iupacName "1-Chloro-2-methyl-4-nitrobenzene"@en;
dbo:pubchem "83315"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])Cl";
dbp:inchikey "BGDCQZFFNFXYQC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl5NO2Tol";
skos:prefLabel "2-chloor-5-nitrotolueen"@nl .
csc:OZVJKTHTULCNHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11712;
dbo:casNumber "598-16-3";
dbo:formula "C2HBr3";
dbo:inchi "InChI=1S/C2HBr3/c3-1-2(4)5/h1H";
dbo:iupacName "1,1,2-tribromoethene"@en;
dbo:pubchem "11712"^^xsd:int;
dbo:smiles "C(=C(Br)Br)Br";
dbp:inchikey "OZVJKTHTULCNHB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002864;
skos:inScheme vlcs:chemische_stof;
skos:notation "TBrC2e";
skos:prefLabel "tribroometheen"@nl .
csc:IGLNJRXAVVLDKE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5357696;
dbo:casNumber "22438-27-3" , "15438-27-4" , "7440-17-7";
dbo:formula "Rb";
dbo:inchi "InChI=1S/Rb";
dbo:iupacName "RUBIDIUM"@en;
dbo:pubchem "5357696"^^xsd:int;
dbo:smiles "[Rb]";
dbp:inchikey "IGLNJRXAVVLDKE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:inScheme vlcs:chemische_stof;
skos:notation "Rb";
skos:prefLabel "rubidium"@nl .
csc:CBLVUXPPNHUKDE-QBFSEMIESA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3034433;
dbo:casNumber "55634-91-8";
dbo:formula "C17H25NO5";
dbo:inchi "InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-";
dbo:iupacName "methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate"@en;
dbo:pubchem "3034433"^^xsd:int;
dbo:smiles "CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NOCC=C";
dbp:inchikey "CBLVUXPPNHUKDE-QBFSEMIESA-N";
skos:broader csc:CHEMONTID_0000133;
skos:inScheme vlcs:chemische_stof;
skos:notation "allxdm";
skos:prefLabel "alloxydim"@nl .
csc:LUZDYPLAQQGJEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7119;
dbo:casNumber "93-04-9";
dbo:formula "C11H10O";
dbo:inchi "InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3";
dbo:iupacName "2-Methoxynaphthalene"@en;
dbo:pubchem "7119"^^xsd:int;
dbo:smiles "COC1=CC2=CC=CC=C2C=C1";
dbp:inchikey "LUZDYPLAQQGJEA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1oxNaf";
skos:prefLabel "2-methoxynaftaleen"@nl .
csc:IFEJLMHZNQJGQU-UDEWSXLWSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6436024;
dbo:casNumber "55028-72-3" , "40665-92-7";
dbo:formula "C22H28ClNaO6";
dbo:inchi "InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19?,20+,21-;/m1./s1";
dbo:iupacName "sodium (Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate"@en;
dbo:pubchem "6436024"^^xsd:int;
dbo:smiles "C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]";
dbp:inchikey "IFEJLMHZNQJGQU-UDEWSXLWSA-M";
skos:inScheme vlcs:chemische_stof;
skos:notation "cloptnl";
skos:prefLabel "cloprostenol"@nl .
csc:NIWWFAAXEMMFMS-IGMARMGPSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:167403;
dbo:casNumber "15758-32-4";
dbo:formula "Cm";
dbo:inchi "InChI=1S/Cm/i1+0";
dbo:iupacName "curium-247"@en;
dbo:pubchem "167403"^^xsd:int;
dbo:smiles "[Cm]";
dbp:inchikey "NIWWFAAXEMMFMS-IGMARMGPSA-N";
skos:inScheme vlcs:chemische_stof;
skos:notation "Cm247";
skos:prefLabel "curium 247"@nl .
csc:LHRCREOYAASXPZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2"@nl , "VLAR II (D2)"@nl;
rdfs:seeAlso compound:5889;
dbo:casNumber "53-70-3" , "56-56-4";
dbo:formula "C22H14";
dbo:inchi "InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H";
dbo:iupacName "naphtho[1,2-b]phenanthrene"@en;
dbo:pubchem "5889"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C32";
dbp:inchikey "LHRCREOYAASXPZ-UHFFFAOYSA-N";
skos:altLabel "dibenzo(a,h)antraceen"@nl , "dibenzo(a,h)an-traceen"@nl;
skos:broader csc:CHEMONTID_0000025;
skos:exactMatch wise:CAS_53-70-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "DBahAnt";
skos:prefLabel "dibenzo(a,h)anthraceen"@nl .
csc:JJYPMNFTHPTTDI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7934;
dbo:casNumber "108-44-1";
dbo:formula "C7H9N";
dbo:inchi "InChI=1S/C7H9N/c1-6-3-2-4-7(8)5-6/h2-5H,8H2,1H3";
dbo:iupacName "3-Methylaniline"@en;
dbo:pubchem "7934"^^xsd:int;
dbo:smiles "CC1=CC(=CC=C1)N";
dbp:inchikey "JJYPMNFTHPTTDI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003964;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C1yAn";
skos:prefLabel "3-methylaniline"@nl .
csc:VPAYJEUHKVESSD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:16843;
dbo:casNumber "2314-97-8" , "263005-66-9";
dbo:formula "CF3I";
dbo:inchi "InChI=1S/CF3I/c2-1(3,4)5";
dbo:iupacName "trifluoro-iodomethane"@en;
dbo:pubchem "16843"^^xsd:int;
dbo:smiles "C(F)(F)(F)I";
dbp:inchikey "VPAYJEUHKVESSD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004157;
skos:inScheme vlcs:chemische_stof;
skos:notation "TFIC1a";
skos:prefLabel "trifluorjoodmethaan"@nl .
csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:11245;
dbo:casNumber "563-58-6";
dbo:formula "C3H4Cl2";
dbo:inchi "InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3";
dbo:iupacName "1,1-dichloroprop-1-ene"@en;
dbo:pubchem "11245"^^xsd:int;
dbo:smiles "CC=C(Cl)Cl";
dbp:inchikey "ZAIDIVBQUMFXEC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001168;
skos:exactMatch wise:CAS_563-58-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "11DClC3e";
skos:prefLabel "1,1-dichloorpropeen"@nl .
csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:30479;
dbo:casNumber "21087-64-9";
dbo:formula "C8H14N4OS";
dbo:inchi "InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3";
dbo:iupacName "4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one"@en;
dbo:pubchem "30479"^^xsd:int;
dbo:smiles "CC(C)(C)C1=NN=C(N(C1=O)N)SC";
dbp:inchikey "FOXFZRUHNHCZPX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004631;
skos:exactMatch wise:CAS_21087-64-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "metbzn";
skos:prefLabel "metribuzin"@nl .
csc:FBUKVWPVBMHYJY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8158;
dbo:casNumber "112-05-0" , "68937-75-7" , "58253-02-4";
dbo:formula "C9H18O2";
dbo:inchi "InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-9(10)11/h2-8H2,1H3,(H,10,11)";
dbo:iupacName "Nonanoic acid"@en;
dbo:pubchem "8158"^^xsd:int;
dbo:smiles "CCCCCCCCC(=O)O";
dbp:inchikey "FBUKVWPVBMHYJY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "C9azr";
skos:prefLabel "nonaanzuur"@nl .
csc:YEHHNHSVUHPNNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:31393;
dbo:casNumber "127-90-2";
dbo:formula "C6H6Cl8O";
dbo:inchi "InChI=1S/C6H6Cl8O/c7-3(1-5(9,10)11)15-4(8)2-6(12,13)14/h3-4H,1-2H2";
dbo:iupacName "1,1,1,3-tetrachloro-3-(1,3,3,3-tetrachloropropoxy)propane"@en;
dbo:pubchem "31393"^^xsd:int;
dbo:smiles "C(C(OC(CC(Cl)(Cl)Cl)Cl)Cl)C(Cl)(Cl)Cl";
dbp:inchikey "YEHHNHSVUHPNNT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "D2333T4ClC3y";
skos:prefLabel "di-(2,3,3,3-tetrachloorpropyl)ether"@nl .
csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:31275;
dbo:casNumber "28347-91-3" , "28347-88-8" , "123-91-1" , "54841-74-6" , "39449-24-6";
dbo:formula "C4H8O2";
dbo:inchi "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2";
dbo:iupacName "1,4-Dioxane"@en;
dbo:pubchem "31275"^^xsd:int;
dbo:smiles "C1COCCO1";
dbp:inchikey "RYHBNJHYFVUHQT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001313;
skos:exactMatch wise:CAS_123-91-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "14DOxan";
skos:prefLabel "1,4-dioxaan"@nl .
csc:OAYXUHPQHDHDDZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8177;
dbo:casNumber "210818-08-9" , "112-34-5";
dbo:formula "C8H18O3";
dbo:inchi "InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3";
dbo:iupacName "2-(2-Butoxyethoxy)ethanol"@en;
dbo:pubchem "8177"^^xsd:int;
dbo:smiles "CCCCOCCOCCO";
dbp:inchikey "OAYXUHPQHDHDDZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "22C4oxC2oxC2";
skos:prefLabel "2-(2-butoxyethoxy)ethanol"@nl .
csc:WVLBCYQITXONBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10541;
dbo:casNumber "512-56-1" , "91316-44-8";
dbo:formula "C3H9O4P";
dbo:inchi "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3";
dbo:iupacName "['hydroxy-trimethoxyphosphanium', 'Trimethyl phosphate']"@en;
dbo:pubchem "10541"^^xsd:int;
dbo:smiles "COP(=O)(OC)OC";
dbp:inchikey "WVLBCYQITXONBZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003460;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC1yPO4";
skos:prefLabel "trimethylfosfaat"@nl .
csc:JYQUHIFYBATCCY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:26124;
dbo:casNumber "37331-41-2" , "13593-03-8" , "54511-12-5";
dbo:formula "C12H15N2O3PS";
dbo:inchi "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3";
dbo:iupacName "diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane"@en;
dbo:pubchem "26124"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1";
dbp:inchikey "JYQUHIFYBATCCY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000486;
skos:inScheme vlcs:chemische_stof;
skos:notation "quinfs";
skos:prefLabel "quinalfos"@nl .
csc:VSCWAEJMTAWNJL-UHFFFAOYSA-K
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:24012;
dbo:casNumber "114442-10-3" , "167140-05-8" , "84861-98-3" , "37226-46-3" , "7446-70-0" , "144388-28-3" , "125690-94-0" , "11097-68-0" , "56831-66-4" , "41630-01-7" , "195436-38-5" , "135864-70-9" , "162535-15-1" , "56803-01-1" , "79586-02-0" , "143230-54-0" , "1327-41-9" , "39380-80-8" , "8012-66-6" , "245064-40-8" , "64441-77-6" , "101707-17-9" , "32056-15-8";
dbo:formula "AlCl3";
dbo:inchi "InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3";
dbo:iupacName "['trichloroalumane', 'Aluminum trichloride']"@en;
dbo:pubchem "24012"^^xsd:int;
dbo:smiles "[Al](Cl)(Cl)Cl";
dbp:inchikey "VSCWAEJMTAWNJL-UHFFFAOYSA-K";
skos:broader csc:CHEMONTID_0000573;
skos:inScheme vlcs:chemische_stof;
skos:notation "AlHOxCl";
skos:prefLabel "aluminiumhydroxychloride"@nl .
csc:ZLMJMSJWJFRBEC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5462222;
dbo:casNumber "7440-09-07";
dbo:formula "K";
dbo:inchi "InChI=1S/K";
dbo:iupacName "potassium"@en;
dbo:pubchem "5462222"^^xsd:int;
dbo:smiles "[K]";
dbp:inchikey "ZLMJMSJWJFRBEC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:exactMatch wise:CAS_7440-09-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "K";
skos:prefLabel "kalium"@nl .
csc:KEWNKZNZRIAIAK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:13636;
dbo:casNumber "935-95-5";
dbo:formula "C6H2Cl4O";
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H";
dbo:iupacName "2,3,5,6-TETRACHLOROPHENOL"@en;
dbo:pubchem "13636"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)O)Cl)Cl";
dbp:inchikey "KEWNKZNZRIAIAK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002771;
skos:inScheme vlcs:chemische_stof;
skos:notation "2356T4ClFol";
skos:prefLabel "2,3,5,6-tetrachloorfenol"@nl .
csc:PVFOMCVHYWHZJE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6420;
dbo:casNumber "76-02-8";
dbo:formula "C2Cl4O";
dbo:inchi "InChI=1S/C2Cl4O/c3-1(7)2(4,5)6";
dbo:iupacName "2,2,2-trichloroacetyl chloride"@en;
dbo:pubchem "6420"^^xsd:int;
dbo:smiles "C(=O)(C(Cl)(Cl)Cl)Cl";
dbp:inchikey "PVFOMCVHYWHZJE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001022;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4ClC2al";
skos:prefLabel "trichlooracetylchloride"@nl .
csc:KZTYYGOKRVBIMI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:31386;
dbo:casNumber "127-63-9";
dbo:formula "C12H10O2S";
dbo:inchi "InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H";
dbo:iupacName "phenylsulfonylbenzene"@en;
dbo:pubchem "31386"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2";
dbp:inchikey "KZTYYGOKRVBIMI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004233;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dfysfn";
skos:prefLabel "difenylsulfon"@nl .
csc:KWIXNFOTNVKIGM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:22691;
dbo:casNumber "6283-25-6";
dbo:formula "C6H5ClN2O2";
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H,8H2";
dbo:iupacName "2-Chloro-5-nitroaniline"@en;
dbo:pubchem "22691"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])N)Cl";
dbp:inchikey "KWIXNFOTNVKIGM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl5NO2An";
skos:prefLabel "2-chloor-5-nitroaniline"@nl .
csc:HAMGRBXTJNITHG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:12228;
dbo:casNumber "624-83-9" , "30108-95-3";
dbo:formula "C2H3NO";
dbo:inchi "InChI=1S/C2H3NO/c1-3-2-4/h1H3";
dbo:iupacName "methylimino-oxomethane"@en;
dbo:pubchem "12228"^^xsd:int;
dbo:smiles "CN=C=O";
dbp:inchikey "HAMGRBXTJNITHG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000501;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yicnt";
skos:prefLabel "methylisocyanaat"@nl .
csc:VPNYRYCIDCJBOM-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11693;
dbo:casNumber "53808-86-9" , "596-51-0";
dbo:formula "C19H28BrNO3";
dbo:inchi "InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1";
dbo:iupacName "(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide"@en;
dbo:pubchem "11693"^^xsd:int;
dbo:smiles "C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]";
dbp:inchikey "VPNYRYCIDCJBOM-UHFFFAOYSA-M";
skos:altLabel "pyrolaat"@nl;
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "Brprlt" , "pyrlt";
skos:prefLabel "broompyrolaat"@nl .
csc:ICKWICRCANNIBI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7311;
dbo:casNumber "50356-26-8" , "96-76-4";
dbo:formula "C14H22O";
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3";
dbo:iupacName "2,4-ditert-butylphenol"@en;
dbo:pubchem "7311"^^xsd:int;
dbo:smiles "CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C";
dbp:inchikey "ICKWICRCANNIBI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DttC4yFol";
skos:prefLabel "2,4-di-tertiair-butylfenol"@nl .
csc:ORFOPKXBNMVMKC-DWVKKRMSSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5481173;
dbo:casNumber "72558-82-8";
dbo:formula "C22H22N6O7S2";
dbo:inchi "InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1";
dbo:iupacName "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(1-hydroxy-2-methyl-1-oxopropan-2-yl)oxyiminoacetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en;
dbo:pubchem "5481173"^^xsd:int;
dbo:smiles "CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-]";
dbp:inchikey "ORFOPKXBNMVMKC-DWVKKRMSSA-N";
skos:broader csc:CHEMONTID_0000173;
skos:inScheme vlcs:chemische_stof;
skos:notation "ceftzdme";
skos:prefLabel "ceftazidime"@nl .
csc:BGEHHAVMRVXCGR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:25311;
dbo:casNumber "10486-19-8";
dbo:formula "C13H26O";
dbo:inchi "InChI=1S/C13H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h13H,2-12H2,1H3";
dbo:iupacName "TRIDECANAL"@en;
dbo:pubchem "25311"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCC=O";
dbp:inchikey "BGEHHAVMRVXCGR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000298;
skos:inScheme vlcs:chemische_stof;
skos:notation "C13al";
skos:prefLabel "tridecanal"@nl .
csc:UREZNYTWGJKWBI-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8478;
dbo:casNumber "121-54-0" , "39362-38-4" , "5929-09-9";
dbo:formula "C27H42ClNO2";
dbo:inchi "InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1";
dbo:iupacName "benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium chloride"@en;
dbo:pubchem "8478"^^xsd:int;
dbo:smiles "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]";
dbp:inchikey "UREZNYTWGJKWBI-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "BentnmCl";
skos:prefLabel "benzethonium chloride"@nl .
csc:XRQHTUDGPWMPKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17424;
dbo:casNumber "2588-03-6";
dbo:formula "C7H17O3PS3";
dbo:inchi "InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3";
dbo:iupacName "diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidenephosphorane"@en;
dbo:pubchem "17424"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)CC";
dbp:inchikey "XRQHTUDGPWMPKX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:inScheme vlcs:chemische_stof;
skos:notation "forsfOxd";
skos:prefLabel "foraat-sulfoxide"@nl .
csc:XSWVFEQKZFUULO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:114809;
dbo:casNumber "71133-14-7";
dbo:formula "C2HBrCl2O2";
dbo:inchi "InChI=1S/C2HBrCl2O2/c3-2(4,5)1(6)7/h(H,6,7)";
dbo:iupacName "2-bromo-2,2-dichloroacetic acid"@en;
dbo:pubchem "114809"^^xsd:int;
dbo:smiles "C(=O)(C(Cl)(Cl)Br)O";
dbp:inchikey "XSWVFEQKZFUULO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrDClHAc";
skos:prefLabel "broomdichloorazijnzuur"@nl .
csc:ZRKMQKLGEQPLNS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8067;
dbo:casNumber "110-66-7";
dbo:formula "C5H12S";
dbo:inchi "InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3";
dbo:iupacName "pentane-1-thiol"@en;
dbo:pubchem "8067"^^xsd:int;
dbo:smiles "CCCCCS";
dbp:inchikey "ZRKMQKLGEQPLNS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001212;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C5atol";
skos:prefLabel "1-pentaanthiol"@nl .
csc:KCOCSOWTADCKOL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:91596;
dbo:casNumber "30043-49-3";
dbo:formula "C7H12N4O3S2";
dbo:inchi "InChI=1S/C7H12N4O3S2/c1-4-16(13,14)7-10-9-6(15-7)11(3)5(12)8-2/h4H2,1-3H3,(H,8,12)";
dbo:iupacName "1-(5-ethylsulfonyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea"@en;
dbo:pubchem "91596"^^xsd:int;
dbo:smiles "CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC";
dbp:inchikey "KCOCSOWTADCKOL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000093;
skos:inScheme vlcs:chemische_stof;
skos:notation "etdmrn";
skos:prefLabel "ethidimuron"@nl .
csc:UXOOFXUEODCAIP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:104942;
dbo:casNumber "60044-26-0";
dbo:formula "C12H4Br6";
dbo:inchi "InChI=1S/C12H4Br6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H";
dbo:iupacName "1,2,3-tribromo-5-(3,4,5-tribromophenyl)benzene"@en;
dbo:pubchem "104942"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Br)Br)Br)C2=CC(=C(C(=C2)Br)Br)Br";
dbp:inchikey "UXOOFXUEODCAIP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003954;
skos:inScheme vlcs:chemische_stof;
skos:notation "PBB169";
skos:prefLabel "3,3',4,4',5,5'-hexabroombifenyl"@nl .
csc:SJXPQSRCFCPWQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:117746;
dbo:casNumber "116680-95-6" , "26172-54-3" , "2682-20-4";
dbo:formula "C4H6ClNOS";
dbo:inchi "InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1H";
dbo:iupacName "2-methyl-1,2-thiazol-3-one hydrochloride"@en;
dbo:pubchem "117746"^^xsd:int;
dbo:smiles "CN1C(=O)C=CS1.Cl";
dbp:inchikey "SJXPQSRCFCPWQQ-UHFFFAOYSA-N";
skos:altLabel "2-methyl-2H-isothiazool-3-on"@nl;
skos:broader csc:CHEMONTID_0000095;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y2Hitaz3o";
skos:prefLabel "2-methyl-2h-isothiazool-3-on"@nl .
csc:JUJWROOIHBZHMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1049;
dbo:casNumber "62301-32-0" , "85404-20-2" , "110-86-1" , "85404-19-9" , "163392-20-9" , "82005-06-9" , "6999-00-4" , "45410-39-7" , "152758-95-7";
dbo:formula "C5H5N";
dbo:inchi "InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H";
dbo:iupacName "Pyridine"@en;
dbo:pubchem "1049"^^xsd:int;
dbo:smiles "C1=CC=NC=C1";
dbp:inchikey "JUJWROOIHBZHMG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000089;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrdne";
skos:prefLabel "pyridine"@nl .
csc:LSNNMFCWUKXFEE-UHFFFAOYSA-L
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:1099;
dbo:casNumber "14265-45-3";
dbo:formula "O3S-2";
dbo:inchi "InChI=1S/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2";
dbo:iupacName "sulfite"@en;
dbo:pubchem "1099"^^xsd:int;
dbo:smiles "[O-]S(=O)[O-]";
dbp:inchikey "LSNNMFCWUKXFEE-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001078;
skos:inScheme vlcs:chemische_stof;
skos:notation "SO3-2";
skos:prefLabel "sulfiet"@nl .
csc:ZPTVNYMJQHSSEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7473;
dbo:casNumber "99-99-0";
dbo:formula "C7H7NO2";
dbo:inchi "InChI=1S/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3";
dbo:iupacName "['N,N-dihydroxy-4-methylaniline', '1-Methyl-4-nitrobenzene']"@en;
dbo:pubchem "7473"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)[N+](=O)[O-]";
dbp:inchikey "ZPTVNYMJQHSSEA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "4NO2Tol";
skos:prefLabel "4-nitrotolueen"@nl .
csc:KAATUXNTWXVJKI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:2912;
dbo:casNumber "86753-92-6" , "86752-99-0" , "97955-44-7" , "139203-31-9" , "142443-95-6" , "146909-55-9" , "52315-07-8" , "159940-28-0" , "137497-61-1" , "71697-59-1" , "88161-75-5" , "186554-45-0" , "69865-47-0";
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";
dbo:iupacName "[cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate"@en;
dbo:pubchem "2912"^^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 "KAATUXNTWXVJKI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001461;
skos:exactMatch wise:CAS_52315-07-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "cypmtn";
skos:prefLabel "cypermethrin"@nl .
csc:YFTHZRPMJXBUME-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7616;
dbo:casNumber "102-69-2" , "112488-51-4";
dbo:formula "C9H21N";
dbo:inchi "InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3";
dbo:iupacName "N,N-dipropylpropan-1-amine"@en;
dbo:pubchem "7616"^^xsd:int;
dbo:smiles "CCCN(CCC)CCC";
dbp:inchikey "YFTHZRPMJXBUME-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002239;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC3yAe";
skos:prefLabel "tripropylamine"@nl .
csc:RESBOJMQOGJOMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:61657;
dbo:casNumber "13678-59-6";
dbo:formula "C6H8OS";
dbo:inchi "InChI=1S/C6H8OS/c1-5-3-4-6(7-5)8-2/h3-4H,1-2H3";
dbo:iupacName "2-methyl-5-methylsulfanylfuran"@en;
dbo:pubchem "61657"^^xsd:int;
dbo:smiles "CC1=CC=C(O1)SC";
dbp:inchikey "RESBOJMQOGJOMW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004631;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y5C1ytofr";
skos:prefLabel "2-methyl-5-(methylthio)furan"@nl .
csc:WABPQHHGFIMREM-RKEGKUSMSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6328551;
dbo:casNumber "15067-28-4";
dbo:formula "Pb";
dbo:inchi "InChI=1S/Pb/i1+7";
dbo:iupacName "lead-214"@en;
dbo:pubchem "6328551"^^xsd:int;
dbo:smiles "[Pb]";
dbp:inchikey "WABPQHHGFIMREM-RKEGKUSMSA-N";
skos:broader csc:CHEMONTID_0000427;
skos:inScheme vlcs:chemische_stof;
skos:notation "Pb214";
skos:prefLabel "lood 214"@nl .
csc:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:679;
dbo:casNumber "164071-41-4" , "67-68-5" , "8070-53-9";
dbo:formula "C2H6OS";
dbo:inchi "InChI=1S/C2H6OS/c1-4(2)3/h1-2H3";
dbo:iupacName "Methylsulfinylmethane"@en;
dbo:pubchem "679"^^xsd:int;
dbo:smiles "CS(=O)C";
dbp:inchikey "IAZDPXIOMUYVGZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000491;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1ySO";
skos:prefLabel "dimethylsulfoxide"@nl .
csc:GLYJVQDYLFAUFC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8090;
dbo:casNumber "111-06-8";
dbo:formula "C20H40O2";
dbo:inchi "InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3";
dbo:iupacName "Butyl hexadecanoate"@en;
dbo:pubchem "8090"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OCCCC";
dbp:inchikey "GLYJVQDYLFAUFC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "C4yC16aoat";
skos:prefLabel "butylhexadecanoaat"@nl .
csc:HNRMPXKDFBEGFZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6403;
dbo:casNumber "75-83-2";
dbo:formula "C6H14";
dbo:inchi "InChI=1S/C6H14/c1-5-6(2,3)4/h5H2,1-4H3";
dbo:iupacName "2,2-Dimethylbutane"@en;
dbo:pubchem "6403"^^xsd:int;
dbo:smiles "CCC(C)(C)C";
dbp:inchikey "HNRMPXKDFBEGFZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1yC4a";
skos:prefLabel "dimethylbutaan"@nl .
csc:APTZNLHMIGJTEW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:182951;
dbo:casNumber "129630-19-9";
dbo:formula "C15H13Cl2F3N2O4";
dbo:inchi "InChI=1S/C15H13Cl2F3N2O4/c1-3-24-11(23)6-25-10-4-7(9(18)5-8(10)16)13-12(17)14(22(2)21-13)26-15(19)20/h4-5,15H,3,6H2,1-2H3";
dbo:iupacName "ethyl 2-[2-chloro-5-[4-chloro-5-(difluoromethoxy)-1-methylpyrazol-3-yl]-4-fluorophenoxy]acetate"@en;
dbo:pubchem "182951"^^xsd:int;
dbo:smiles "CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl";
dbp:inchikey "APTZNLHMIGJTEW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrffnC2y";
skos:prefLabel "pyraflufen-ethyl"@nl .
csc:CXJSOEPQXUCJSA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8381;
dbo:casNumber "119-12-0";
dbo:formula "C14H17N2O4PS";
dbo:inchi "InChI=1S/C14H17N2O4PS/c1-3-18-21(22,19-4-2)20-13-10-11-14(17)16(15-13)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3";
dbo:iupacName "6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one"@en;
dbo:pubchem "8381"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2";
dbp:inchikey "CXJSOEPQXUCJSA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004623;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrdfton";
skos:prefLabel "pyridafention"@nl .
csc:VYXSBFYARXAAKO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13806;
dbo:casNumber "989-38-8";
dbo:formula "C28H31ClN2O3";
dbo:inchi "InChI=1S/C28H30N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29H,6-8H2,1-5H3;1H";
dbo:iupacName "ethyl 2-(3-ethylamino-6-ethylimino-2,7-dimethylxanthen-9-yl)benzoate hydrochloride"@en;
dbo:pubchem "13806"^^xsd:int;
dbo:smiles "CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OCC.[Cl-]";
dbp:inchikey "VYXSBFYARXAAKO-UHFFFAOYSA-N";
skos:altLabel "c.i. basic red 1"@nl;
skos:broader csc:CHEMONTID_0000200;
skos:inScheme vlcs:chemische_stof;
skos:notation "cibrd1";
skos:prefLabel "C.I. Basic Red 1"@nl .
csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:154482;
dbo:casNumber "36355-01-8" , "82865-89-2";
dbo:formula "C12H4Br6";
dbo:inchi "InChI=1S/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H";
dbo:iupacName "1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene"@en;
dbo:pubchem "154482"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Br)Br)Br)Br)Br)Br";
dbp:inchikey "PTJQVJQAZSLKJO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003954;
skos:exactMatch wise:CAS_36355-01-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "HxBr11bFy";
skos:prefLabel "hexabroom-1,1'-bifenyl"@nl .
csc:UHZZMRAGKVHANO-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13836;
dbo:casNumber "39394-21-3" , "999-81-5" , "8073-20-9";
dbo:formula "C5H13Cl2N";
dbo:inchi "InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1";
dbo:iupacName "2-chloroethyl-trimethylazanium chloride"@en;
dbo:pubchem "13836"^^xsd:int;
dbo:smiles "C[N+](C)(C)CCCl.[Cl-]";
dbp:inchikey "UHZZMRAGKVHANO-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClmqCl";
skos:prefLabel "chloormequatchloride"@nl .
csc:XMAYWYJOQHXEEK-ZEQKJWHPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:47576;
dbo:casNumber "65277-42-1";
dbo:formula "C26H28Cl2N4O4";
dbo:inchi "InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1";
dbo:iupacName "1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone"@en;
dbo:pubchem "47576"^^xsd:int;
dbo:smiles "CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl";
dbp:inchikey "XMAYWYJOQHXEEK-ZEQKJWHPSA-N";
skos:broader csc:CHEMONTID_0001984;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "ketoconazol"@nl .
csc:HUTDUHSNJYTCAR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:25572;
dbo:casNumber "12771-68-5" , "50642-61-0" , "33712-16-2" , "51025-96-8";
dbo:formula "C15H16N2O2";
dbo:inchi "InChI=1S/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2,1H3";
dbo:iupacName "cyclopropyl-(4-methoxyphenyl)-pyrimidin-5-ylmethanol"@en;
dbo:pubchem "25572"^^xsd:int;
dbo:smiles "COC1=CC=C(C=C1)C(C2CC2)(C3=CN=CN=C3)O";
dbp:inchikey "HUTDUHSNJYTCAR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000138;
skos:inScheme vlcs:chemische_stof;
skos:notation "ancmdl";
skos:prefLabel "ancymidol"@nl .
csc:PWPJGUXAGUPAHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:71777;
dbo:casNumber "103055-07-8";
dbo:formula "C17H8Cl2F8N2O3";
dbo:inchi "InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)";
dbo:iupacName "N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide"@en;
dbo:pubchem "71777"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F";
dbp:inchikey "PWPJGUXAGUPAHP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:inScheme vlcs:chemische_stof;
skos:notation "lufnrn";
skos:prefLabel "lufenuron"@nl .
csc:ZYZCGGRZINLQBL-GWRQVWKTSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:445434;
dbo:casNumber "101043-37-2";
dbo:formula "C49H74N10O12";
dbo:inchi "InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1";
dbo:iupacName "(5R,8S,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]-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 "445434"^^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)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C";
dbp:inchikey "ZYZCGGRZINLQBL-GWRQVWKTSA-N";
skos:altLabel "microcystine-LR"@nl;
skos:broader csc:CHEMONTID_0002010;
skos:inScheme vlcs:chemische_stof;
skos:notation "MC-LR";
skos:prefLabel "microcystine-lr"@nl .
csc:IRMGVPILCPGYNQ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3017829;
dbo:casNumber "68105-02-2";
dbo:formula "C30H64BrN";
dbo:inchi "InChI=1S/C30H64N.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-30H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "dimethyl-di(tetradecyl)azanium bromide"@en;
dbo:pubchem "3017829"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]";
dbp:inchikey "IRMGVPILCPGYNQ-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1yDC14yNH4";
skos:prefLabel "dimethylditetradecylammonium bromide"@nl .
csc:ZXNWYMNKYXUZGM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:94452;
dbo:casNumber "826-36-8" , "33973-59-0";
dbo:formula "C9H18ClNO";
dbo:inchi "InChI=1S/C9H17NO.ClH/c1-8(2)5-7(11)6-9(3,4)10-8;/h10H,5-6H2,1-4H3;1H";
dbo:iupacName "2,2,6,6-Tetramethylpiperidin-4-one hydrochloride"@en;
dbo:pubchem "94452"^^xsd:int;
dbo:smiles "CC1(CC(=O)CC(N1)(C)C)C.Cl";
dbp:inchikey "ZXNWYMNKYXUZGM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001581;
skos:inScheme vlcs:chemische_stof;
skos:notation "TactnAe";
skos:prefLabel "triacetonamine"@nl .
csc:CPLXHLVBOLITMK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:14792;
dbo:casNumber "52933-73-0" , "13589-16-7" , "1309-48-4" , "185461-91-0" , "82375-77-7" , "187036-80-2";
dbo:formula "MgO";
dbo:inchi "InChI=1S/Mg.O";
dbo:iupacName "oxomagnesium"@en;
dbo:pubchem "14792"^^xsd:int;
dbo:smiles "O=[Mg]";
dbp:inchikey "CPLXHLVBOLITMK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000546;
skos:inScheme vlcs:chemische_stof;
skos:notation "MgO";
skos:prefLabel "magnesiumoxide"@nl .
csc:JKWMSGQKBLHBQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:518682;
dbo:casNumber "1303-86-2";
dbo:formula "B2O3";
dbo:inchi "InChI=1S/B2O3/c3-1-5-2-4";
dbo:iupacName "oxo-oxoboranyloxyborane"@en;
dbo:pubchem "518682"^^xsd:int;
dbo:smiles "B(=O)OB=O";
dbp:inchikey "JKWMSGQKBLHBQQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000534;
skos:inScheme vlcs:chemische_stof;
skos:notation "B2O3";
skos:prefLabel "diboortrioxide"@nl .
csc:DHAZIUXMHRHVMP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8047;
dbo:casNumber "110-36-1";
dbo:formula "C18H36O2";
dbo:inchi "InChI=1S/C18H36O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-18(19)20-17-6-4-2/h3-17H2,1-2H3";
dbo:iupacName "Butyl tetradecanoate"@en;
dbo:pubchem "8047"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCC(=O)OCCCC";
dbp:inchikey "DHAZIUXMHRHVMP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "C4yC14aoat";
skos:prefLabel "butyltetradecanoaat"@nl .
csc:JZUFKLXOESDKRF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3639;
dbo:casNumber "125727-50-6" , "8049-49-8" , "58-93-5";
dbo:formula "C7H8ClN3O4S2";
dbo:inchi "InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)";
dbo:iupacName "6-chloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide"@en;
dbo:pubchem "3639"^^xsd:int;
dbo:smiles "C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl";
dbp:inchikey "JZUFKLXOESDKRF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004292;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCltazde";
skos:prefLabel "hydrochloorthiazide"@nl .
csc:JLRGJRBPOGGCBT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5505;
dbo:casNumber "100735-34-0" , "64-77-7";
dbo:formula "C12H18N2O3S";
dbo:inchi "InChI=1S/C12H18N2O3S/c1-3-4-9-13-12(15)14-18(16,17)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3,(H2,13,14,15)";
dbo:iupacName "1-butyl-3-(4-methylphenyl)sulfonylurea"@en;
dbo:pubchem "5505"^^xsd:int;
dbo:smiles "CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C";
dbp:inchikey "JLRGJRBPOGGCBT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "tolbAd";
skos:prefLabel "tolbutamide"@nl .
csc:HDWLUGYOLUHEMN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13783;
dbo:casNumber "973-21-7" , "61840-20-8" , "62655-72-5";
dbo:formula "C14H18N2O7";
dbo:inchi "InChI=1S/C14H18N2O7/c1-5-9(4)11-6-10(15(18)19)7-12(16(20)21)13(11)23-14(17)22-8(2)3/h6-9H,5H2,1-4H3";
dbo:iupacName "(2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate"@en;
dbo:pubchem "13783"^^xsd:int;
dbo:smiles "CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C";
dbp:inchikey "HDWLUGYOLUHEMN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dnbtn";
skos:prefLabel "dinobuton"@nl .
csc:ZUXABONWMNSFBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:2818;
dbo:casNumber "5786-21-0";
dbo:formula "C18H19ClN4";
dbo:inchi "InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,21H,8-11H2,1H3";
dbo:iupacName "3-chloro-6-(4-methylpiperazin-1-yl)-5H-benzo[c][1,5]benzodiazepine"@en;
dbo:pubchem "2818"^^xsd:int;
dbo:smiles "CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl";
dbp:inchikey "ZUXABONWMNSFBN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000072;
skos:inScheme vlcs:chemische_stof;
skos:notation "clozpne";
skos:prefLabel "clozapine"@nl .
csc:RZXMPPFPUUCRFN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7813;
dbo:casNumber "25640-74-8" , "12221-03-3" , "106-49-0" , "26915-12-8";
dbo:formula "C7H9N";
dbo:inchi "InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3";
dbo:iupacName "4-Methylaniline"@en;
dbo:pubchem "7813"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)N";
dbp:inchikey "RZXMPPFPUUCRFN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003964;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1yAn";
skos:prefLabel "4-methylaniline"@nl .
csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:29131;
dbo:casNumber "18540-29-9";
dbo:formula "Cr+6";
dbo:inchi "InChI=1S/Cr/q+6";
dbo:iupacName "chromium(+6) cation"@en;
dbo:pubchem "29131"^^xsd:int;
dbo:smiles "[Cr+6]";
dbp:inchikey "JOPOVCBBYLSVDA-UHFFFAOYSA-N";
skos:altLabel "chroom, zeswaardig"@nl;
skos:broader csc:CHEMONTID_0000426;
skos:exactMatch wise:CAS_18540-29-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "CrVI";
skos:prefLabel "chroom (zeswaardig)"@nl .
csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl , "VLAR II+ bijlagen"@nl;
rdfs:seeAlso compound:38199;
dbo:casNumber "67652-39-5" , "67562-39-4" , "38998-75-3";
dbo:formula "C12HCl7O";
dbo:inchi "InChI=1S/C12HCl7O/c13-3-1-2-4-6(15)7(16)8(17)10(19)12(4)20-11(2)9(18)5(3)14/h1H";
dbo:iupacName "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN"@en;
dbo:pubchem "38199"^^xsd:int;
dbo:smiles "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl";
dbp:inchikey "WDMKCPIVJOGHBF-UHFFFAOYSA-N";
skos:altLabel "1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)"@nl , " 1,2,3,4,6,7,8-heptachloordibenzofuraan"@nl , "1,2,3,4,6,7,8-heptachloordibenzofuran"@nl;
skos:broader csc:CHEMONTID_0003029;
skos:exactMatch wise:CAS_67562-39-4;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF131";
skos:prefLabel "1,2,3,4,6,7,8-heptachloordibenzofuraan"@nl .
csc:DDUIUBPJPOKOMV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:13290;
dbo:casNumber "841-06-5";
dbo:formula "C11H21N5OS";
dbo:inchi "InChI=1S/C11H21N5OS/c1-8(2)13-10-14-9(12-6-5-7-17-3)15-11(16-10)18-4/h8H,5-7H2,1-4H3,(H2,12,13,14,15,16)";
dbo:iupacName "N'-(3-methoxypropyl)-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine"@en;
dbo:pubchem "13290"^^xsd:int;
dbo:smiles "CC(C)NC1=NC(=NC(=N1)NCCCOC)SC";
dbp:inchikey "DDUIUBPJPOKOMV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004735;
skos:inScheme vlcs:chemische_stof;
skos:notation "metptn";
skos:prefLabel "methoprotryn"@nl .
csc:JLYXXMFPNIAWKQ-SHFUYGGZSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:727;
dbo:casNumber "319-84-6";
dbo:formula "C6H6Cl6";
dbo:inchi "InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m1/s1";
dbo:iupacName "(1R,2R,3R,4R,5S,6S)-1,2,3,4,5,6-hexachlorocyclohexane"@en;
dbo:smiles "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl";
dbp:inchikey "JLYXXMFPNIAWKQ-SHFUYGGZSA-N";
skos:altLabel "α-lindaan"@nl , "α-hexachlorocyclohexaan"@nl;
skos:broader csc:CHEMONTID_0004485;
skos:exactMatch wise:CAS_319-84-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "aHCH";
skos:prefLabel "alfa-hexachloorcyclohexaan"@nl .
csc:RMLPZKRPSQVRAB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:11232;
dbo:casNumber "563-04-2";
dbo:formula "C21H21O4P";
dbo:inchi "InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3";
dbo:iupacName "tris(3-methylphenyl) phosphate"@en;
dbo:pubchem "11232"^^xsd:int;
dbo:smiles "CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C";
dbp:inchikey "RMLPZKRPSQVRAB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004619;
skos:inScheme vlcs:chemische_stof;
skos:notation "TmcsPO4";
skos:prefLabel "tri-m-cresylfosfaat"@nl .
csc:KQNPFQTWMSNSAP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6590;
dbo:casNumber "79-31-2";
dbo:formula "C4H8O2";
dbo:inchi "InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)";
dbo:iupacName "2-Methylpropanoic acid"@en;
dbo:pubchem "6590"^^xsd:int;
dbo:smiles "CC(C)C(=O)O";
dbp:inchikey "KQNPFQTWMSNSAP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001205;
skos:inScheme vlcs:chemische_stof;
skos:notation "ibtzr";
skos:prefLabel "iso-boterzuur"@nl .
csc:DPUOLQHDNGRHBS-KTKRTIGZSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5281116;
dbo:casNumber "112-86-7";
dbo:formula "C22H42O2";
dbo:inchi "InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9-";
dbo:iupacName "(Z)-Docos-13-enoic acid"@en;
dbo:pubchem "5281116"^^xsd:int;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCC(=O)O";
dbp:inchikey "DPUOLQHDNGRHBS-KTKRTIGZSA-N";
skos:broader csc:CHEMONTID_0002950;
skos:inScheme vlcs:chemische_stof;
skos:notation "erczr";
skos:prefLabel "erucazuur"@nl .
csc:QWTDNUCVQCZILF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6556;
dbo:casNumber "92046-46-3" , "68513-65-5" , "70024-92-9" , "78-78-4" , "68923-44-4";
dbo:formula "C5H12";
dbo:inchi "InChI=1S/C5H12/c1-4-5(2)3/h5H,4H2,1-3H3";
dbo:iupacName "2-Methylbutane"@en;
dbo:pubchem "6556"^^xsd:int;
dbo:smiles "CCC(C)C";
dbp:inchikey "QWTDNUCVQCZILF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yC4a";
skos:prefLabel "2-methylbutaan"@nl .
cosc:lucht rdf:type skos:Collection;
skos:inScheme vlcs:chemische_stof;
skos:member csc:VNWKTOKETHGBQD-UHFFFAOYSA-N , csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N , csc:LRHPLDYGYMQRHN-UHFFFAOYSA-N , csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N , csc:WBHQEUPUMONIKF-UHFFFAOYSA-N , csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N , csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N , csc:LFSAPCRASZRSKS-UHFFFAOYSA-N , csc:QPJDMGCKMHUXFD-UHFFFAOYSA-N , csc:BDAGIHXWWSANSR-UHFFFAOYSA-N , csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N , csc:HAXBIWFMXWRORI-UHFFFAOYSA-N , csc:WDECIBYCCFPHNR-UHFFFAOYSA-N , csc:DXBHBZVCASKNBY-UHFFFAOYSA-N , csc:SECXISVLQFMRJM-UHFFFAOYSA-N , csc:NIXOWILDQLNWCW-UHFFFAOYSA-N , csc:LHRCREOYAASXPZ-UHFFFAOYSA-N , csc:KRHYYFGTRYWZRS-UHFFFAOYSA-N , csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N , csc:RQNWIZPPADIBDY-UHFFFAOYSA-N , csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N , csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N , csc:WSLDOOZREJYCGB-UHFFFAOYSA-N , csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N , csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N , csc:IMNFDUFMRHMDMM-UHFFFAOYSA-N , csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N , csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N , csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N , csc:PAAZPARNPHGIKF-UHFFFAOYSA-N , csc:TZIHFWKZFHZASV-UHFFFAOYSA-N , csc:HGUFODBRKLSHSI-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-OWOJBTEDSA-N , csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N , csc:DIOQZVSQGTUSAI-UHFFFAOYSA-N , csc:NOWKCMXCCJGMRR-UHFFFAOYSA-N , csc:XNWFRZJHXBZDAG-UHFFFAOYSA-N , csc:LGXVIGDEPROXKC-UHFFFAOYSA-N , csc:ULYZAYCEDJDHCC-UHFFFAOYSA-N , csc:FYGHSUNMUKGBRK-UHFFFAOYSA-N , csc:AFFLGGQVNFXPEV-UHFFFAOYSA-N , csc:PXHVJJICTQNCMI-UHFFFAOYSA-N , csc:UJBOOUHRTQVGRU-UHFFFAOYSA-N , csc:HEDRZPFGACZZDS-UHFFFAOYSA-N , csc:BUGBHKTXTAQXES-UHFFFAOYSA-N , csc:VVQNEPGJFQJSBK-UHFFFAOYSA-N , csc:CYRMSUTZVYGINF-UHFFFAOYSA-N , csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N , csc:PWHULOQIROXLJO-UHFFFAOYSA-N , csc:OGBQILNBLMPPDP-UHFFFAOYSA-N , csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N , csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N , csc:SWXVUIWOUIDPGS-UHFFFAOYSA-N , csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N , csc:ZWEHNKRNPOVVGH-UHFFFAOYSA-N , csc:GSWAOPJLTADLTN-UHFFFAOYSA-N , csc:REHONNLQRWTIFF-UHFFFAOYSA-N , csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N , 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csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N , csc:BAPJBEWLBFYGME-UHFFFAOYSA-N , csc:GJRQTCIYDGXPES-UHFFFAOYSA-N , csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N , csc:FSPZPQQWDODWAU-UHFFFAOYSA-N , csc:VEXZGXHMUGYJMC-UHFFFAOYSA-N , csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N , csc:QAOWNCQODCNURD-UHFFFAOYSA-N , csc:CSCPPACGZOOCGX-UHFFFAOYSA-N , csc:BTANRVKWQNVYAZ-UHFFFAOYSA-N , csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N , csc:VGVHNLRUAMRIEW-UHFFFAOYSA-N , csc:BKIMMITUMNQMOS-UHFFFAOYSA-N , csc:XYFCBTPGUUZFHI-UHFFFAOYSA-N , csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N , csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N , csc:WMOVHXAZOJBABW-UHFFFAOYSA-N , csc:KFUSEUYYWQURPO-UPHRSURJSA-N , csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N , csc:LAHWLEDBADHJGA-UHFFFAOYSA-N , csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N , csc:RNVCVTLRINQCPJ-UHFFFAOYSA-N , csc:RTZKZFJDLAIYFH-UHFFFAOYSA-N , csc:YXFVVABEGXRONW-UHFFFAOYSA-N , csc:KAKZBPTYRLMSJV-UHFFFAOYSA-N , csc:QPJVMBTYPHYUOC-UHFFFAOYSA-N , csc:VEZCTZWLJYWARH-UHFFFAOYSA-N , csc:WIDHRBRBACOVOY-UHFFFAOYSA-N , csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N , csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N , csc:BBEAQIROQSPTKN-UHFFFAOYSA-N , csc:XYLMUPLGERFSHI-UHFFFAOYSA-N , csc:OFBQJSOFQDEBGM-UHFFFAOYSA-N , csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N , csc:JIGUQPWFLRLWPJ-UHFFFAOYSA-N , csc:RWSOTUBLDIXVET-UHFFFAOYSA-N , csc:BASFCYQUMIYNBI-UHFFFAOYSA-N , csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N , csc:BDERNNFJNOPAEC-UHFFFAOYSA-N , csc:CURLTUGMZLYLDI-UHFFFAOYSA-N , csc:URLKBWYHVLBVBO-UHFFFAOYSA-N , csc:IKHGUXGNUITLKF-UHFFFAOYSA-N , csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N , csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N , csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N , csc:ZMXDDKWLCZADIW-UHFFFAOYSA-N , csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N , csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N , csc:XUAWBXBYHDRROL-UHFFFAOYSA-N , csc:AKEJUJNQAAGONA-UHFFFAOYSA-N , csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N , csc:HXGDTGSAIMULJN-UHFFFAOYSA-N , csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N , csc:IAYPIBMASNFSPL-UHFFFAOYSA-N , csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N , csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N , csc:GOOHAUXETOMSMM-UHFFFAOYSA-N , csc:NTIZESTWPVYFNL-UHFFFAOYSA-N , csc:HYBBIBNJHNGZAN-UHFFFAOYSA-N , csc:JBIJLHTVPXGSAM-UHFFFAOYSA-N , csc:KFZMGEQAYNKOFK-UHFFFAOYSA-N , csc:DVKJHBMWWAPEIU-UHFFFAOYSA-N , csc:NBBJYMSMWIIQGU-UHFFFAOYSA-N , csc:ZGEGCLOFRBLKSE-UHFFFAOYSA-N , csc:JHIVVAPYMSGYDF-UHFFFAOYSA-N , csc:KSMVNVHUTQZITP-UHFFFAOYSA-N , csc:YNPNZTXNASCQKK-UHFFFAOYSA-N , csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N , csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N , csc:IUTPYMGCWINGEY-UHFFFAOYSA-N , csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N , csc:XTAHLACQOVXINQ-UHFFFAOYSA-N , csc:POAOYUHQDCAZBD-UHFFFAOYSA-N , csc:ZAFNJMIOTHYJRJ-UHFFFAOYSA-N , csc:HPNMFZURTQLUMO-UHFFFAOYSA-N , csc:WABPQHHGFIMREM-UHFFFAOYSA-N , csc:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N , csc:UFWIBTONFRDIAS-UHFFFAOYSA-N , csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N , csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N , csc:XEKOWRVHYACXOJ-UHFFFAOYSA-N , csc:VZGDMQKNWNREIO-UHFFFAOYSA-N , csc:BAVYZALUXZFZLV-UHFFFAOYSA-N , csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N , csc:JCXJVPUVTGWSNB-UHFFFAOYSA-N , csc:SXQBHARYMNFBPS-UHFFFAOYSA-N , csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N , csc:YGYAWVDWMABLBF-UHFFFAOYSA-N , csc:LIKMAJRDDDTEIG-UHFFFAOYSA-N , csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N , csc:PTTPXKJBFFKCEK-UHFFFAOYSA-N , csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N , csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N , csc:UHOVQNZJYSORNB-UHFFFAOYSA-N , csc:PPBRXRYQALVLMV-UHFFFAOYSA-N , csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N , csc:LELOWRISYMNNSU-UHFFFAOYSA-N , csc:XTXRWKRVRITETP-UHFFFAOYSA-N , csc:QSHDDOUJBYECFT-UHFFFAOYSA-N , csc:KZBUYRJDOAKODT-UHFFFAOYSA-N , csc:RHIROFAGUQOFLU-UHFFFAOYSA-N , csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N , csc:KWKAKUADMBZCLK-UHFFFAOYSA-N , csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N , csc:OAKJQQAXSVQMHS-UHFFFAOYSA-N , csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N , csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N , csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N , csc:XBDQKXXYIPTUBI-UHFFFAOYSA-N , csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N , csc:QGJOPFRUJISHPQ-UHFFFAOYSA-N;
skos:prefLabel "Chemische stoffen die in lucht gemeten worden."@nl .
csc:PCSMJKASWLYICJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12524;
dbo:casNumber "638-37-9";
dbo:formula "C4H6O2";
dbo:inchi "InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2";
dbo:iupacName "BUTANEDIAL"@en;
dbo:pubchem "12524"^^xsd:int;
dbo:smiles "C(CC=O)C=O";
dbp:inchikey "PCSMJKASWLYICJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002434;
skos:inScheme vlcs:chemische_stof;
skos:notation "succAh";
skos:prefLabel "succinaldehyde"@nl .
csc:DPNGWXJMIILTBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:442649;
dbo:casNumber "532-12-7";
dbo:formula "C9H10N2";
dbo:inchi "InChI=1S/C9H10N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7H,2,4,6H2";
dbo:iupacName "3-(4,5-dihydro-3H-pyrrol-2-yl)pyridine"@en;
dbo:pubchem "442649"^^xsd:int;
dbo:smiles "C1CC(=NC1)C2=CN=CC=C2";
dbp:inchikey "DPNGWXJMIILTBS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000089;
skos:inScheme vlcs:chemische_stof;
skos:notation "myomne";
skos:prefLabel "myosmine"@nl .
csc:NIWWFAAXEMMFMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:23979;
dbo:casNumber "7440-51-9";
dbo:formula "Cm";
dbo:inchi "InChI=1S/Cm";
dbo:iupacName "CURIUM"@en;
dbo:pubchem "23979"^^xsd:int;
dbo:smiles "[Cm]";
dbp:inchikey "NIWWFAAXEMMFMS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cm";
skos:prefLabel "curium"@nl .
csc:IAOZJIPTCAWIRG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2242;
dbo:casNumber "53906-69-7" , "22839-47-0" , "7421-84-3";
dbo:formula "C14H18N2O5";
dbo:inchi "InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)";
dbo:iupacName "3-amino-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid"@en;
dbo:pubchem "2242"^^xsd:int;
dbo:smiles "COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N";
dbp:inchikey "IAOZJIPTCAWIRG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000348;
skos:inScheme vlcs:chemische_stof;
skos:notation "asptm";
skos:prefLabel "aspartaam"@nl .
csc:BBLDTXFLAHKYFJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:27010;
dbo:casNumber "15045-43-9";
dbo:formula "C8H16O";
dbo:inchi "InChI=1S/C8H16O/c1-7(2)5-6-8(3,4)9-7/h5-6H2,1-4H3";
dbo:iupacName "2,2,5,5-tetramethyloxolane"@en;
dbo:pubchem "27010"^^xsd:int;
dbo:smiles "CC1(CCC(O1)(C)C)C";
dbp:inchikey "BBLDTXFLAHKYFJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002648;
skos:inScheme vlcs:chemische_stof;
skos:notation "2255T4C4yT4H";
skos:prefLabel "2,2,5,5,-tetramethyl-tetrahydrofuran"@nl .
csc:DVOODWOZJVJKQR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:94498;
dbo:casNumber "39807-15-3";
dbo:formula "C15H14Cl2N2O3";
dbo:inchi "InChI=1S/C15H14Cl2N2O3/c1-5-6-21-12-8-11(9(16)7-10(12)17)19-14(20)22-13(18-19)15(2,3)4/h1,7-8H,6H2,2-4H3";
dbo:iupacName "5-tert-butyl-3-(2,4-dichloro-5-prop-2-ynoxyphenyl)-1,3,4-oxadiazol-2-one"@en;
dbo:pubchem "94498"^^xsd:int;
dbo:smiles "CC(C)(C)C1=NN(C(=O)O1)C2=CC(=C(C=C2Cl)Cl)OCC#C";
dbp:inchikey "DVOODWOZJVJKQR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "oxdagl";
skos:prefLabel "oxadiargyl"@nl .
csc:OWEGWHBOCFMBLP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:37907;
dbo:casNumber "38083-17-9";
dbo:formula "C15H17ClN2O2";
dbo:inchi "InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3";
dbo:iupacName "1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one"@en;
dbo:pubchem "37907"^^xsd:int;
dbo:smiles "CC(C)(C)C(=O)C(N1C=CN=C1)OC2=CC=C(C=C2)Cl";
dbp:inchikey "OWEGWHBOCFMBLP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "climbzle";
skos:prefLabel "climbazole"@nl .
csc:JCTXKRPTIMZBJT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8946;
dbo:casNumber "127894-68-2" , "144-19-4";
dbo:formula "C8H18O2";
dbo:inchi "InChI=1S/C8H18O2/c1-6(2)7(10)8(3,4)5-9/h6-7,9-10H,5H2,1-4H3";
dbo:iupacName "2,2,4-Trimethylpentane-1,3-diol"@en;
dbo:pubchem "8946"^^xsd:int;
dbo:smiles "CC(C)C(C(C)(C)CO)O";
dbp:inchikey "JCTXKRPTIMZBJT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001661;
skos:inScheme vlcs:chemische_stof;
skos:notation "224TC1y13C5a";
skos:prefLabel "2,2,4-trimethyl-1,3-pentaandiol"@nl .
csc:JYWIYHUXVMAGLG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:16779;
dbo:casNumber "2277-92-1";
dbo:formula "C13H6Cl5NO3";
dbo:inchi "InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)";
dbo:iupacName "2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide"@en;
dbo:pubchem "16779"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl";
dbp:inchikey "JYWIYHUXVMAGLG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004713;
skos:inScheme vlcs:chemische_stof;
skos:notation "Oxcznde";
skos:prefLabel "oxyclozanide"@nl .
csc:VJTAZCKMHINUKO-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:31273;
dbo:casNumber "123-88-6";
dbo:formula "C3H7ClHgO";
dbo:inchi "InChI=1S/C3H7O.ClH.Hg/c1-3-4-2;;/h1,3H2,2H3;1H;/q;;+1/p-1";
dbo:iupacName "2-Methoxyethylmercury chloride"@en;
dbo:pubchem "31273"^^xsd:int;
dbo:smiles "COCC[Hg+].[Cl-]";
dbp:inchikey "VJTAZCKMHINUKO-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1oxC2yHgCl";
skos:prefLabel "methoxyethylkwikchloride"@nl .
csc:UUIVKBHZENILKB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:25059;
dbo:casNumber "10222-01-2";
dbo:formula "C3H2Br2N2O";
dbo:inchi "InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)";
dbo:iupacName "2,2-DIBROMO-2-CYANOACETAMIDE"@en;
dbo:pubchem "25059"^^xsd:int;
dbo:smiles "C(#N)C(C(=O)N)(Br)Br";
dbp:inchikey "UUIVKBHZENILKB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001662;
skos:inScheme vlcs:chemische_stof;
skos:notation "22DBr2caacam";
skos:prefLabel "2,2-dibroom-2-cyaanaceetamide"@nl .
csc:LMXFTMYMHGYJEI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:556998;
dbo:casNumber "42822-86-6";
dbo:formula "C10H20O2";
dbo:inchi "InChI=1S/C10H20O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-9,11-12H,4-6H2,1-3H3";
dbo:iupacName "2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol"@en;
dbo:pubchem "556998"^^xsd:int;
dbo:smiles "CC1CCC(C(C1)O)C(C)(C)O";
dbp:inchikey "LMXFTMYMHGYJEI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001401;
skos:inScheme vlcs:chemische_stof;
skos:notation "p-ment38Dol";
skos:prefLabel "p-menthaan-3,8-diol"@nl .
csc:CRPUJAZIXJMDBK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6616;
dbo:casNumber "565-00-4" , "79-92-5" , "5794-04-7";
dbo:formula "C10H16";
dbo:inchi "InChI=1S/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3";
dbo:iupacName "6,6-dimethyl-5-methylidenebicyclo[2.2.1]heptane"@en;
dbo:pubchem "6616"^^xsd:int;
dbo:smiles "CC1(C2CCC(C2)C1=C)C";
dbp:inchikey "CRPUJAZIXJMDBK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001564;
skos:inScheme vlcs:chemische_stof;
skos:notation "campn";
skos:prefLabel "campheen"@nl .
csc:LUQMWGMGWJEGAT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:36027;
dbo:casNumber "124793-11-9" , "31972-43-7";
dbo:formula "C13H22NO4PS";
dbo:inchi "InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)";
dbo:iupacName "N-[ethoxy-(3-methyl-4-methylsulfinylphenoxy)phosphoryl]propan-2-amine"@en;
dbo:pubchem "36027"^^xsd:int;
dbo:smiles "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C";
dbp:inchikey "LUQMWGMGWJEGAT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004632;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenamfSO";
skos:prefLabel "fenamifos-sulfoxide"@nl .
csc:DKPFZGUDAPQIHT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:31272;
dbo:casNumber "123-86-4";
dbo:formula "C6H12O2";
dbo:inchi "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3";
dbo:iupacName "Butyl acetate"@en;
dbo:pubchem "31272"^^xsd:int;
dbo:smiles "CCCCOC(=O)C";
dbp:inchikey "DKPFZGUDAPQIHT-UHFFFAOYSA-N";
skos:altLabel "butylacetaat"@nl;
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "C4yactt";
skos:prefLabel "n-butylacetaat"@nl .
csc:HWWYDZCSSYKIAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11565;
dbo:casNumber "591-22-0";
dbo:formula "C7H9N";
dbo:inchi "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3";
dbo:iupacName "3,5-Dimethylpyridine"@en;
dbo:pubchem "11565"^^xsd:int;
dbo:smiles "CC1=CC(=CN=C1)C";
dbp:inchikey "HWWYDZCSSYKIAD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004152;
skos:inScheme vlcs:chemische_stof;
skos:notation "35DC1yprdne";
skos:prefLabel "3,5-dimethylpyridine"@nl .
csc:MWFMGBPGAXYFAR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6406;
dbo:casNumber "59182-86-4" , "75-86-5";
dbo:formula "C4H7NO";
dbo:inchi "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3";
dbo:iupacName "2-Hydroxy-2-methylpropanenitrile"@en;
dbo:pubchem "6406"^^xsd:int;
dbo:smiles "CC(C)(C#N)O";
dbp:inchikey "MWFMGBPGAXYFAR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001670;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yltntl";
skos:prefLabel "2-methyllactonitril"@nl .
csc:GLZPCOQZEFWAFX-JXMROGBWSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:637566;
dbo:casNumber "106-24-1" , "8007-13-4" , "68311-14-8" , "624-15-7";
dbo:formula "C10H18O";
dbo:inchi "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+";
dbo:iupacName "['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol']"@en;
dbo:pubchem "637566"^^xsd:int;
dbo:smiles "CC(=CCCC(=CCO)C)C";
dbp:inchikey "GLZPCOQZEFWAFX-JXMROGBWSA-N";
skos:broader csc:CHEMONTID_0001127;
skos:inScheme vlcs:chemische_stof;
skos:notation "gernl";
skos:prefLabel "geraniol"@nl .
csc:DWFZBUWUXWZWKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:91754;
dbo:casNumber "96489-71-3";
dbo:formula "C19H25ClN2OS";
dbo:inchi "InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3";
dbo:iupacName "2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one"@en;
dbo:pubchem "91754"^^xsd:int;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl";
dbp:inchikey "DWFZBUWUXWZWKD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrdbn";
skos:prefLabel "pyridaben"@nl .
csc:REEQLXCGVXDJSQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:41428;
dbo:casNumber "55335-06-3" , "69653-72-1";
dbo:formula "C7H4Cl3NO3";
dbo:inchi "InChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)";
dbo:iupacName "2-(3,5,6-trichloropyridin-2-yl)oxyacetic acid"@en;
dbo:pubchem "41428"^^xsd:int;
dbo:smiles "C1=C(C(=NC(=C1Cl)Cl)OCC(=O)O)Cl";
dbp:inchikey "REEQLXCGVXDJSQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003971;
skos:exactMatch wise:CAS_55335-06-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tcpr";
skos:prefLabel "triclopyr"@nl .
csc:DQVGVYRSVYCJRR-HTLTWAQSSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5351507;
dbo:casNumber "603-17-8";
dbo:formula "C55H74N4O5";
dbo:inchi "InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?";
dbo:iupacName "methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate"@en;
dbo:pubchem "5351507"^^xsd:int;
dbo:smiles "CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C";
dbp:inchikey "DQVGVYRSVYCJRR-HTLTWAQSSA-N";
skos:broader csc:CHEMONTID_0000716;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "feofytine a"@nl .
csc:PXTADLCAVHRXCA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:34308;
dbo:casNumber "28680-45-7";
dbo:formula "C7H3Cl7";
dbo:inchi "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H";
dbo:iupacName "1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene"@en;
dbo:pubchem "34308"^^xsd:int;
dbo:smiles "C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "PXTADLCAVHRXCA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002863;
skos:inScheme vlcs:chemische_stof;
skos:notation "HpClnbnn";
skos:prefLabel "heptachloornorborneen"@nl .
csc:AQXXZDYPVDOQEE-MXDQRGINSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5281033;
dbo:casNumber "22204-24-6" , "122157-48-6";
dbo:formula "C34H30N2O6S";
dbo:inchi "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+";
dbo:iupacName "['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine']"@en;
dbo:pubchem "5281033"^^xsd:int;
dbo:smiles "CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O";
dbp:inchikey "AQXXZDYPVDOQEE-MXDQRGINSA-N";
skos:broader csc:CHEMONTID_0002421;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrtpmat";
skos:prefLabel "pyrantel pamoaat"@nl .
csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:134472;
dbo:casNumber "3984-14-3";
dbo:formula "C2H8N2O2S";
dbo:inchi "InChI=1S/C2H8N2O2S/c1-4(2)7(3,5)6/h1-2H3,(H2,3,5,6)";
dbo:iupacName "(methyl-sulfamoylamino)methane"@en;
dbo:pubchem "134472"^^xsd:int;
dbo:smiles "CN(C)S(=O)(=O)N";
dbp:inchikey "QMHAHUAQAJVBIW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001183;
skos:exactMatch wise:CAS_3984-14-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1ysAd";
skos:prefLabel "dimethylsulfamide"@nl .
csc:MOZDKDIOPSPTBH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7180;
dbo:casNumber "94-18-8";
dbo:formula "C14H12O3";
dbo:inchi "InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2";
dbo:iupacName "Phenylmethyl 4-hydroxybenzoate"@en;
dbo:pubchem "7180"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O";
dbp:inchikey "MOZDKDIOPSPTBH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004702;
skos:inScheme vlcs:chemische_stof;
skos:notation "benz4HOxbzat";
skos:prefLabel "benzyl 4-hydroxybenzoaat"@nl .
csc:LDVVMCZRFWMZSG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8606;
dbo:casNumber "133-06-2" , "1321-42-2" , "120528-25-8" , "37335-15-2";
dbo:formula "C9H8Cl3NO2S";
dbo:inchi "InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2";
dbo:iupacName "2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione"@en;
dbo:pubchem "8606"^^xsd:int;
dbo:smiles "C1C=CCC2C1C(=O)N(C2=O)SC(Cl)(Cl)Cl";
dbp:inchikey "LDVVMCZRFWMZSG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001820;
skos:exactMatch wise:CAS_133-06-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "captn";
skos:prefLabel "captan"@nl .
csc:LIUBOLYWYDGCSJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:142558;
dbo:casNumber "41902-42-5";
dbo:formula "C13H28O";
dbo:inchi "InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3";
dbo:iupacName "3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol"@en;
dbo:pubchem "142558"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O";
dbp:inchikey "LIUBOLYWYDGCSJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001670;
skos:inScheme vlcs:chemische_stof;
skos:notation "TttC4yC1ol";
skos:prefLabel "tri-tert-butylmethanol"@nl .
csc:GQPLMRYTRLFLPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR III (D3) 'N2O'"@nl , "VLAR II (D1, definities broeikasgassen)"@nl;
rdfs:seeAlso compound:948;
dbo:casNumber "129451-49-6" , "126386-65-0" , "10024-97-2" , "147527-07-9" , "175876-44-5" , "130835-71-1";
dbo:formula "N2O";
dbo:inchi "InChI=1S/N2O/c1-2-3";
dbo:iupacName "nitrous oxide"@en;
dbo:pubchem "948"^^xsd:int;
dbo:smiles "[N-]=[N+]=O";
dbp:inchikey "GQPLMRYTRLFLPF-UHFFFAOYSA-N";
skos:altLabel "distikstofoxide (lachgas)"@nl , "distikstofoxide (N2O)"@nl;
skos:broader csc:CHEMONTID_0000553;
skos:inScheme vlcs:chemische_stof;
skos:notation "N2O";
skos:prefLabel "distikstofoxide (n2o)"@nl .
csc:BAZVSMNPJJMILC-STQMWFEESA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:92416;
dbo:casNumber "89482-17-7";
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-/m0/s1";
dbo:iupacName "(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol"@en;
dbo:pubchem "92416"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O";
dbp:inchikey "BAZVSMNPJJMILC-STQMWFEESA-N";
skos:altLabel "triadimenol-a"@nl;
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:notation "TadmnlA";
skos:prefLabel "triadimenol-A"@nl .
csc:KIEDNEWSYUYDSN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:54778;
dbo:casNumber "81777-89-1" , "89493-06-1";
dbo:formula "C12H14ClNO2";
dbo:inchi "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3";
dbo:iupacName "2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one"@en;
dbo:pubchem "54778"^^xsd:int;
dbo:smiles "CC1(CON(C1=O)CC2=CC=CC=C2Cl)C";
dbp:inchikey "KIEDNEWSYUYDSN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "clomzn";
skos:prefLabel "clomazon"@nl .
csc:LBNXAWYDQUGHGX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:14115;
dbo:casNumber "1078-71-3";
dbo:formula "C13H20";
dbo:inchi "InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3";
dbo:iupacName "Heptylbenzene"@en;
dbo:pubchem "14115"^^xsd:int;
dbo:smiles "CCCCCCCC1=CC=CC=C1";
dbp:inchikey "LBNXAWYDQUGHGX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "C7yBen";
skos:prefLabel "heptylbenzeen"@nl .
csc:BULVZWIRKLYCBC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:4790;
dbo:casNumber "298-02-2";
dbo:formula "C7H17O2PS3";
dbo:inchi "InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3";
dbo:iupacName "diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidenephosphorane"@en;
dbo:pubchem "4790"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCSCC";
dbp:inchikey "BULVZWIRKLYCBC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:inScheme vlcs:chemische_stof;
skos:notation "fort";
skos:prefLabel "foraat"@nl .
csc:VJAWBEFMCIINFU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:43704;
dbo:casNumber "10552-74-6";
dbo:formula "C14H17NO6";
dbo:inchi "InChI=1S/C14H17NO6/c1-8(2)20-13(16)10-5-11(14(17)21-9(3)4)7-12(6-10)15(18)19/h5-9H,1-4H3";
dbo:iupacName "dipropan-2-yl 5-nitrobenzene-1,3-dicarboxylate"@en;
dbo:pubchem "43704"^^xsd:int;
dbo:smiles "CC(C)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC(C)C";
dbp:inchikey "VJAWBEFMCIINFU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004010;
skos:inScheme vlcs:chemische_stof;
skos:notation "nittliC3y";
skos:prefLabel "nitrothal-isopropyl"@nl .
csc:PROQIPRRNZUXQM-ZXXIGWHRSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5756;
dbo:casNumber "50-27-1";
dbo:formula "C18H24O3";
dbo:inchi "InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1";
dbo:iupacName "(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol"@en;
dbo:pubchem "5756"^^xsd:int;
dbo:smiles "CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O";
dbp:inchikey "PROQIPRRNZUXQM-ZXXIGWHRSA-N";
skos:altLabel "oestriol"@nl;
skos:broader csc:CHEMONTID_0003570;
skos:inScheme vlcs:chemische_stof;
skos:notation "esTol";
skos:prefLabel "estriol"@nl .
csc:BTOCFTAWZMMTNB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:63077;
dbo:casNumber "41411-63-6";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-6-3-1-5(2-4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H";
dbo:iupacName "1,2,3,4,5-pentachloro-6-(4-chlorophenyl)benzene"@en;
dbo:pubchem "63077"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BTOCFTAWZMMTNB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB166";
skos:prefLabel "2,3,4,4',5,6-hexachloorbifenyl"@nl .
csc:WTEOIRVLGSZEPR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6356;
dbo:casNumber "7637-07-2" , "155123-44-7" , "20654-88-0" , "372-85-0" , "15875-25-9" , "109704-87-2";
dbo:formula "BF3";
dbo:inchi "InChI=1S/BF3/c2-1(3)4";
dbo:iupacName "Trifluoroborane"@en;
dbo:pubchem "6356"^^xsd:int;
dbo:smiles "B(F)(F)F";
dbp:inchikey "WTEOIRVLGSZEPR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000584;
skos:inScheme vlcs:chemische_stof;
skos:notation "BTF";
skos:prefLabel "boortrifluoride"@nl .
csc:VHVOLFRBFDOUSH-NSCUHMNNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:637796;
dbo:casNumber "191281-03-5" , "120-58-1" , "4043-71-4";
dbo:formula "C10H10O2";
dbo:inchi "InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2+";
dbo:iupacName "['5-Prop-1-enyl-1,3-benzodioxole', '5-[(E)-prop-1-enyl]-1,3-benzodioxole']"@en;
dbo:pubchem "637796"^^xsd:int;
dbo:smiles "CC=CC1=CC2=C(C=C1)OCO2";
dbp:inchikey "VHVOLFRBFDOUSH-NSCUHMNNSA-N";
skos:broader csc:CHEMONTID_0000296;
skos:inScheme vlcs:chemische_stof;
skos:notation "isfl";
skos:prefLabel "isosafrol"@nl .
csc:DBTMGCOVALSLOR-VPNXCSTESA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:439306;
dbo:casNumber "9008-22-4";
dbo:formula "C18H32O16";
dbo:inchi "InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1";
dbo:iupacName "(3R,4S,5S,6R)-2-[(2R,3R,4S,5R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(3R,4S,5R,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en;
dbo:pubchem "439306"^^xsd:int;
dbo:smiles "C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O";
dbp:inchikey "DBTMGCOVALSLOR-VPNXCSTESA-N";
skos:broader csc:CHEMONTID_0000198;
skos:inScheme vlcs:chemische_stof;
skos:notation "lamnrn";
skos:prefLabel "laminaran"@nl .
csc:UEMBNLWZFIWQFL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11459;
dbo:casNumber "586-11-8";
dbo:formula "C6H4N2O5";
dbo:inchi "InChI=1S/C6H4N2O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H";
dbo:iupacName "3,5-DINITROPHENOL"@en;
dbo:pubchem "11459"^^xsd:int;
dbo:smiles "C1=C(C=C(C=C1[N+](=O)[O-])O)[N+](=O)[O-]";
dbp:inchikey "UEMBNLWZFIWQFL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004505;
skos:inScheme vlcs:chemische_stof;
skos:notation "35DNO2Fol";
skos:prefLabel "3,5-dinitrofenol"@nl .
csc:XDTMQSROBMDMFD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8078;
dbo:casNumber "110-82-7" , "25012-93-5" , "68411-76-7";
dbo:formula "C6H12";
dbo:inchi "InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2";
dbo:iupacName "Cyclohexane"@en;
dbo:pubchem "8078"^^xsd:int;
dbo:smiles "C1CCCCC1";
dbp:inchikey "XDTMQSROBMDMFD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001016;
skos:inScheme vlcs:chemische_stof;
skos:notation "cycC6a";
skos:prefLabel "cyclohexaan"@nl .
csc:XKRFYHLGVUSROY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:23968;
dbo:casNumber "50938-66-4" , "7440-37-1" , "137736-93-7" , "75714-55-5" , "13473-05-7" , "24494-51-7";
dbo:formula "Ar";
dbo:inchi "InChI=1S/Ar";
dbo:iupacName "ARGON"@en;
dbo:pubchem "23968"^^xsd:int;
dbo:smiles "[Ar]";
dbp:inchikey "XKRFYHLGVUSROY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000433;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ar";
skos:prefLabel "argon"@nl .
csc:AVQQQNCBBIEMEU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12437;
dbo:casNumber "632-22-4";
dbo:formula "C5H12N2O";
dbo:inchi "InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3";
dbo:iupacName "1,1,3,3-Tetramethylurea"@en;
dbo:pubchem "12437"^^xsd:int;
dbo:smiles "CN(C)C(=O)N(C)C";
dbp:inchikey "AVQQQNCBBIEMEU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000517;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4C1yurum";
skos:prefLabel "tetramethylureum"@nl .
csc:VLHAGZNBWKUMRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:14040;
dbo:casNumber "1068-87-7";
dbo:formula "C9H20";
dbo:inchi "InChI=1S/C9H20/c1-6-9(7(2)3)8(4)5/h7-9H,6H2,1-5H3";
dbo:iupacName "3-Ethyl-2,4-dimethylpentane"@en;
dbo:pubchem "14040"^^xsd:int;
dbo:smiles "CCC(C(C)C)C(C)C";
dbp:inchikey "VLHAGZNBWKUMRW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C2y24DC1yC5";
skos:prefLabel "3-ethyl-2,4-dimethylpentaan"@nl .
csc:QBJCDRCOQAVMJK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
dbo:casNumber "683-18-1";
dbo:formula "0";
dbo:inchi "InChI=1S/2C4H9.2Cl.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;;;";
dbo:iupacName "dibutyl-dichlorostannane"@en;
dbo:smiles "0";
dbp:inchikey "QBJCDRCOQAVMJK-UHFFFAOYSA-N";
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "dibutyltindichloride"@nl .
csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:300;
dbo:casNumber "79-11-8";
dbo:formula "C2H3ClO2";
dbo:inchi "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)";
dbo:iupacName "2-chloroacetic acid"@en;
dbo:pubchem "300"^^xsd:int;
dbo:smiles "C(C(=O)O)Cl";
dbp:inchikey "FOCAUTSVDIKZOP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:exactMatch wise:CAS_79-11-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClHAc";
skos:prefLabel "chloorazijnzuur"@nl .
csc:WIHMGGWNMISDNJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6573;
dbo:casNumber "78-99-9";
dbo:formula "C3H6Cl2";
dbo:inchi "InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3";
dbo:iupacName "1,1-DICHLOROPROPANE"@en;
dbo:pubchem "6573"^^xsd:int;
dbo:smiles "CCC(Cl)Cl";
dbp:inchikey "WIHMGGWNMISDNJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "11DClC3a";
skos:prefLabel "1,1-dichloorpropaan"@nl .
csc:DCMURXAZTZQAFB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:37803;
dbo:casNumber "37680-65-2";
dbo:formula "C12H7Cl3";
dbo:inchi "InChI=1S/C12H7Cl3/c13-8-5-6-12(15)10(7-8)9-3-1-2-4-11(9)14/h1-7H";
dbo:iupacName "1,4-dichloro-2-(2-chlorophenyl)benzene"@en;
dbo:pubchem "37803"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C2=C(C=CC(=C2)Cl)Cl)Cl";
dbp:inchikey "DCMURXAZTZQAFB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB18";
skos:prefLabel "2,2',5-trichloorbifenyl"@nl .
csc:NRHFWOJROOQKBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6327657;
dbo:casNumber "76-87-9";
dbo:formula "C18H17OSn";
dbo:inchi "InChI=1S/3C6H5.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H2;";
dbo:iupacName "tri(phenyl)tin hydrate"@en;
dbo:pubchem "6327657"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3.O";
dbp:inchikey "NRHFWOJROOQKBK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "trifenyltinhydroxide"@nl .
csc:AAOVKJBEBIDNHE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3016;
dbo:casNumber "11100-37-1" , "439-14-5" , "53320-84-6";
dbo:formula "C16H13ClN2O";
dbo:inchi "InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3";
dbo:iupacName "7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "3016"^^xsd:int;
dbo:smiles "CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3";
dbp:inchikey "AAOVKJBEBIDNHE-UHFFFAOYSA-N";
skos:altLabel "valium"@nl;
skos:broader csc:CHEMONTID_0004097;
skos:inScheme vlcs:chemische_stof;
skos:notation "valum";
skos:prefLabel "diazepam"@nl .
csc:HYJSGOXICXYZGS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19662;
dbo:casNumber "3813-05-6";
dbo:formula "C9H6ClNO3S";
dbo:inchi "InChI=1S/C9H6ClNO3S/c10-5-2-1-3-6-8(5)11(4-7(12)13)9(14)15-6/h1-3H,4H2,(H,12,13)";
dbo:iupacName "2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid"@en;
dbo:pubchem "19662"^^xsd:int;
dbo:smiles "C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O";
dbp:inchikey "HYJSGOXICXYZGS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:exactMatch wise:CAS_3813-05-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzln";
skos:prefLabel "benazolin"@nl .
csc:QEHKBHWEUPXBCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:61437;
dbo:casNumber "10025-85-1";
dbo:formula "Cl3N";
dbo:inchi "InChI=1S/Cl3N/c1-4(2)3";
dbo:iupacName "trichloroamine"@en;
dbo:pubchem "61437"^^xsd:int;
dbo:smiles "N(Cl)(Cl)Cl";
dbp:inchikey "QEHKBHWEUPXBCW-UHFFFAOYSA-N";
skos:altLabel "stikstoftrichloride"@nl;
skos:broader csc:CHEMONTID_0000549;
skos:inScheme vlcs:chemische_stof;
skos:notation "NTCl";
skos:prefLabel "trichlooramine"@nl .
csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2 'trimethylbenzeen'"@nl;
rdfs:seeAlso compound:7947;
dbo:casNumber "108-67-8";
dbo:formula "C9H12";
dbo:inchi "InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3";
dbo:iupacName "1,3,5-Trimethylbenzene"@en;
dbo:pubchem "7947"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1)C)C";
dbp:inchikey "AUHZEENZYGFFBQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:exactMatch wise:CAS_108-67-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "135TC1yBen";
skos:prefLabel "1,3,5-trimethylbenzeen"@nl .
csc:NRZWYNLTFLDQQX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6643;
dbo:casNumber "80-46-6";
dbo:formula "C11H16O";
dbo:inchi "InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3";
dbo:iupacName "4-(2-methylbutan-2-yl)phenol"@en;
dbo:pubchem "6643"^^xsd:int;
dbo:smiles "CCC(C)(C)C1=CC=C(C=C1)O";
dbp:inchikey "NRZWYNLTFLDQQX-UHFFFAOYSA-N";
skos:altLabel "4-tert-pentylfenol"@nl;
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "pttamFol";
skos:prefLabel "para-(tertiair-amyl)fenol"@nl .
csc:KQTVWCSONPJJPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17432;
dbo:casNumber "2593-15-9";
dbo:formula "C5H5Cl3N2OS";
dbo:inchi "InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3";
dbo:iupacName "5-Ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole"@en;
dbo:pubchem "17432"^^xsd:int;
dbo:smiles "CCOC1=NC(=NS1)C(Cl)(Cl)Cl";
dbp:inchikey "KQTVWCSONPJJPE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000128;
skos:inScheme vlcs:chemische_stof;
skos:notation "eTDazl";
skos:prefLabel "etridiazol"@nl .
csc:CWFOCCVIPCEQCK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91778;
dbo:casNumber "122453-73-0";
dbo:formula "C15H11BrClF3N2O";
dbo:inchi "InChI=1S/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3";
dbo:iupacName "4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile"@en;
dbo:pubchem "91778"^^xsd:int;
dbo:smiles "CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl";
dbp:inchikey "CWFOCCVIPCEQCK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002334;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clfapr";
skos:prefLabel "chloorfenapyr"@nl .
csc:XJENLUNLXRJLEZ-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62500;
dbo:casNumber "103947-10-0" , "192230-72-1" , "3520-42-1" , "61261-16-3" , "39470-83-2" , "74871-35-5" , "204996-41-8" , "104298-69-3" , "184827-20-1" , "2609-88-3" , "12777-86-5";
dbo:formula "C29H33N2NaO7S2";
dbo:inchi "InChI=1S/C29H34N2O7S2.Na/c1-7-30(8-2)24-16-26-22(13-18(24)5)29(21-12-11-20(39(32,33)34)15-28(21)40(35,36)37)23-14-19(6)25(17-27(23)38-26)31(9-3)10-4;/h11-17H,7-10H2,1-6H3,(H-,32,33,34,35,36,37);/q;+1/p-1";
dbo:iupacName "sodium 4-(3-diethylamino-6-diethylazaniumylidene-2,7-dimethylxanthen-9-yl)benzene-1,3-disulfonate"@en;
dbo:pubchem "62500"^^xsd:int;
dbo:smiles "CCN(CC)C1=CC2=C(C=C1C)C(=C3C=C(C(=[N+](CC)CC)C=C3O2)C)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]";
dbp:inchikey "XJENLUNLXRJLEZ-UHFFFAOYSA-M";
skos:altLabel "c.i. acid red 52"@nl;
skos:broader csc:CHEMONTID_0000200;
skos:inScheme vlcs:chemische_stof;
skos:notation "ciard52";
skos:prefLabel "C.I. Acid Red 52"@nl .
csc:BBBUAWSVILPJLL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:17162;
dbo:casNumber "102640-36-8" , "98913-53-2" , "145928-91-2" , "2461-15-6";
dbo:formula "C11H22O2";
dbo:inchi "InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3";
dbo:iupacName "2-(2-ethylhexoxymethyl)oxirane"@en;
dbo:pubchem "17162"^^xsd:int;
dbo:smiles "CCCCC(CC)COCC1CO1";
dbp:inchikey "BBBUAWSVILPJLL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000159;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C2yC6ygcdEt";
skos:prefLabel "2-ethylhexylglycidylether"@nl .
csc:DQKWXTIYGWPGOO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:15533;
dbo:casNumber "1689-99-2" , "86702-80-9" , "33964-24-8";
dbo:formula "C15H17Br2NO2";
dbo:inchi "InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3";
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) octanoate"@en;
dbo:pubchem "15533"^^xsd:int;
dbo:smiles "CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br";
dbp:inchikey "DQKWXTIYGWPGOO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002319;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrOxnOcnat";
skos:prefLabel "broomoxynil-octanoaat"@nl .
csc:PGVOXXHNGYYHHB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16979;
dbo:casNumber "2400-00-2";
dbo:formula "C18H30";
dbo:inchi "InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3";
dbo:iupacName "dodecan-3-ylbenzene"@en;
dbo:pubchem "16979"^^xsd:int;
dbo:smiles "CCCCCCCCCC(CC)C1=CC=CC=C1";
dbp:inchikey "PGVOXXHNGYYHHB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C2yC10yBen";
skos:prefLabel "(1-ethyldecyl)-benzeen"@nl .
csc:HVYWMOMLDIMFJA-DPAQBDIFSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5997;
dbo:casNumber "57-88-5" , "80356-14-5" , "218965-24-3" , "209124-38-9" , "22243-67-0";
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/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1";
dbo:iupacName "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol"@en;
dbo:pubchem "5997"^^xsd:int;
dbo:smiles "CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C";
dbp:inchikey "HVYWMOMLDIMFJA-DPAQBDIFSA-N";
skos:broader csc:CHEMONTID_0001469;
skos:inScheme vlcs:chemische_stof;
skos:notation "cholEsrol";
skos:prefLabel "cholesterol"@nl .
csc:VAYGXNSJCAHWJZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:6497;
dbo:casNumber "77-78-1" , "139443-72-4" , "62086-97-9" , "98478-67-2";
dbo:formula "C2H6O4S";
dbo:inchi "InChI=1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3";
dbo:iupacName "Dimethyl sulfate"@en;
dbo:pubchem "6497"^^xsd:int;
dbo:smiles "COS(=O)(=O)OC";
dbp:inchikey "VAYGXNSJCAHWJZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001184;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1ySO4";
skos:prefLabel "dimethylsulfaat"@nl .
csc:TUZYXOIXSAXUGO-PZAWKZKUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:54687;
dbo:casNumber "81093-37-0";
dbo:formula "C23H36O7";
dbo:inchi "InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1";
dbo:iupacName "(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid"@en;
dbo:pubchem "54687"^^xsd:int;
dbo:smiles "CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O";
dbp:inchikey "TUZYXOIXSAXUGO-PZAWKZKUSA-N";
skos:broader csc:CHEMONTID_0000299;
skos:inScheme vlcs:chemische_stof;
skos:notation "pravstne";
skos:prefLabel "pravastatine"@nl .
csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11067463;
dbo:casNumber "133855-98-8";
dbo:formula "C17H13ClFN3O";
dbo:inchi "InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17+/m0/s1";
dbo:iupacName "1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole"@en;
dbo:pubchem "11067463"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl";
dbp:inchikey "ZMYFCFLJBGAQRS-DLBZAZTESA-N";
skos:altLabel "epoxiconazool"@nl;
skos:broader csc:CHEMONTID_0000253;
skos:exactMatch wise:CAS_133855-98-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "epxcnzl";
skos:prefLabel "epoxiconazole"@nl .
csc:QZSFJRIWRPJUOH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:61286;
dbo:casNumber "25168-26-7" , "1928-43-4";
dbo:formula "C16H22Cl2O3";
dbo:inchi "InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3";
dbo:iupacName "2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate"@en;
dbo:pubchem "61286"^^xsd:int;
dbo:smiles "CCCCC(CC)COC(=O)COC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "QZSFJRIWRPJUOH-UHFFFAOYSA-N";
skos:altLabel "2,4-d 2-ethylhexylester"@nl;
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "24D2C2yC6yEs";
skos:prefLabel "2,4-D 2-ethylhexylester"@nl .
csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso compound:36231;
dbo:casNumber "32774-16-6" , "1336-36-3";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H";
dbo:iupacName "1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene"@en;
dbo:pubchem "36231"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl";
dbp:inchikey "ZHLICBPIXDOFFG-UHFFFAOYSA-N";
skos:altLabel "pcb 169"@nl , "3,3',4,4',5,5'-hexachloorbifenyl"@nl , "PCB 169"@nl;
skos:broader csc:CHEMONTID_0003030;
skos:exactMatch wise:CAS_32774-16-6 , wise:CAS_1336-36-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB169";
skos:prefLabel "3,3',4,4',5,5'-hexachloorbifenyl (pcb169)"@nl .
csc:PXIPVTKHYLBLMZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:33557;
dbo:casNumber "26628-22-8" , "20828-18-6" , "157302-08-4" , "12136-89-9" , "108592-00-3";
dbo:formula "N3Na";
dbo:inchi "InChI=1S/N3.Na/c1-3-2;/q-1;+1";
dbo:iupacName "SODIUM AZIDE"@en;
dbo:pubchem "33557"^^xsd:int;
dbo:smiles "[N-]=[N+]=[N-].[Na+]";
dbp:inchikey "PXIPVTKHYLBLMZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000525;
skos:inScheme vlcs:chemische_stof;
skos:notation "Naazde";
skos:prefLabel "natriumazide"@nl .
csc:QCWXUUIWCKQGHC-RNFDNDRNSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91573;
dbo:casNumber "13967-71-0";
dbo:formula "Zr";
dbo:inchi "InChI=1S/Zr/i1+4";
dbo:iupacName "zirconium-95"@en;
dbo:pubchem "91573"^^xsd:int;
dbo:smiles "[Zr]";
dbp:inchikey "QCWXUUIWCKQGHC-RNFDNDRNSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Zr95";
skos:prefLabel "zirconium 95"@nl .
csc:BHFJBHMTEDLICO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:9388;
dbo:casNumber "307-35-7";
dbo:formula "C8F18O2S";
dbo:inchi "InChI=1S/C8F18O2S/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";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonyl fluoride"@en;
dbo:pubchem "9388"^^xsd:int;
dbo:smiles "C(C(C(C(C(F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "BHFJBHMTEDLICO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004050;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFOSF";
skos:prefLabel "perfluorooctaansulfonylfluoride"@nl .
csc:HDDSHPAODJUKPD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3334;
dbo:casNumber "53571-02-1" , "43210-67-9";
dbo:formula "C15H13N3O2S";
dbo:inchi "InChI=1S/C15H13N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)";
dbo:iupacName "methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate"@en;
dbo:pubchem "3334"^^xsd:int;
dbo:smiles "COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3";
dbp:inchikey "HDDSHPAODJUKPD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004711;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenbdzl";
skos:prefLabel "fenbendazol"@nl .
csc:KXUHSQYYJYAXGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:10870;
dbo:casNumber "28729-54-6" , "538-93-2";
dbo:formula "C10H14";
dbo:inchi "InChI=1S/C10H14/c1-9(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3";
dbo:iupacName "2-methylpropylbenzene"@en;
dbo:pubchem "10870"^^xsd:int;
dbo:smiles "CC(C)CC1=CC=CC=C1";
dbp:inchikey "KXUHSQYYJYAXGZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "iC4yBen";
skos:prefLabel "iso-butylbenzeen"@nl .
csc:MVAUDJDXZPBWOW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:28647;
dbo:casNumber "17617-59-3";
dbo:formula "C17H15ClFN3O";
dbo:inchi "InChI=1S/C17H15ClFN3O/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21-10-16(23)22(15)8-7-20/h1-6,9H,7-8,10,20H2";
dbo:iupacName "1-(2-aminoethyl)-7-chloro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "28647"^^xsd:int;
dbo:smiles "C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CCN";
dbp:inchikey "MVAUDJDXZPBWOW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004097;
skos:inScheme vlcs:chemische_stof;
skos:notation "DdC2yfrzpm";
skos:prefLabel "didesethylflurazepam"@nl .
csc:LXMQMMSGERCRSU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:91600;
dbo:casNumber "31251-03-3";
dbo:formula "C22H16F3N3";
dbo:inchi "InChI=1S/C22H16F3N3/c23-22(24,25)20-13-7-12-19(14-20)21(28-16-26-15-27-28,17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16H";
dbo:iupacName "1-[di(phenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole"@en;
dbo:pubchem "91600"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC(=CC=C3)C(F)(F)F)N4C=NC=N4";
dbp:inchikey "LXMQMMSGERCRSU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004524;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fltmzl";
skos:prefLabel "fluotrimazol"@nl .
csc:QYIYFLOTGYLRGG-GPCCPHFNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:51039;
dbo:casNumber "53994-73-3";
dbo:formula "C15H14ClN3O4S";
dbo:inchi "InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-5,9-10,14H,6,17H2,(H,18,20)(H,22,23)/t9-,10-,14-/m1/s1";
dbo:iupacName "(6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en;
dbo:pubchem "51039"^^xsd:int;
dbo:smiles "C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl";
dbp:inchikey "QYIYFLOTGYLRGG-GPCCPHFNSA-N";
skos:broader csc:CHEMONTID_0001189;
skos:inScheme vlcs:chemische_stof;
skos:notation "cefcr";
skos:prefLabel "cefaclor"@nl .
csc:ZZVUWRFHKOJYTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3100;
dbo:casNumber "58-73-1";
dbo:formula "C17H21NO";
dbo:inchi "InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3";
dbo:iupacName "2-[di(phenyl)methoxy]-N,N-dimethylethanamine"@en;
dbo:pubchem "3100"^^xsd:int;
dbo:smiles "CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2";
dbp:inchikey "ZZVUWRFHKOJYTH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dfhdmne";
skos:prefLabel "difenhydramine"@nl .
csc:UETHPMGVZHBAFB-OWOJBTEDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5282251;
dbo:casNumber "128-42-7";
dbo:formula "C14H10N2O10S2";
dbo:inchi "InChI=1S/C14H10N2O10S2/c17-15(18)11-5-3-9(13(7-11)27(21,22)23)1-2-10-4-6-12(16(19)20)8-14(10)28(24,25)26/h1-8H,(H,21,22,23)(H,24,25,26)/b2-1+";
dbo:iupacName "['5-nitro-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid', '5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid']"@en;
dbo:pubchem "5282251"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O";
dbp:inchikey "UETHPMGVZHBAFB-OWOJBTEDSA-N";
skos:broader csc:CHEMONTID_0004785;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DNO2sb22Ds";
skos:prefLabel "4,4'-dinitrostilbeen-2,2'-disulfonzuur"@nl .
csc:MQOBSOSZFYZQOK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:64929;
dbo:casNumber "42017-89-0";
dbo:formula "C17H15ClO4";
dbo:inchi "InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)";
dbo:iupacName "2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoic acid"@en;
dbo:pubchem "64929"^^xsd:int;
dbo:smiles "CC(C)(C(=O)O)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl";
dbp:inchikey "MQOBSOSZFYZQOK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000120;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenfbnzr";
skos:prefLabel "fenofibrinezuur"@nl .
csc:GNHMRTZZNHZDDM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:10963;
dbo:casNumber "2003-31-8" , "542-76-7";
dbo:formula "C3H4ClN";
dbo:inchi "InChI=1S/C3H4ClN/c4-2-1-3-5/h1-2H2";
dbo:iupacName "['3-chloroprop-2-ynenitrile', '3-Chloropropanenitrile']"@en;
dbo:pubchem "10963"^^xsd:int;
dbo:smiles "C(CCl)C#N";
dbp:inchikey "GNHMRTZZNHZDDM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000362;
skos:inScheme vlcs:chemische_stof;
skos:notation "3ClC3antl";
skos:prefLabel "3-chloorpropaannitril"@nl .
csc:FGKJLKRYENPLQH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12587;
dbo:casNumber "38784-67-7" , "646-07-1" , "1331-16-4" , "1866-94-0";
dbo:formula "C6H12O2";
dbo:inchi "InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)";
dbo:iupacName "4-Methylpentanoic acid"@en;
dbo:pubchem "12587"^^xsd:int;
dbo:smiles "CC(C)CCC(=O)O";
dbp:inchikey "FGKJLKRYENPLQH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003544;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1yvlrazr";
skos:prefLabel "4-methylvaleriaanzuur"@nl .
csc:ZCUFMDLYAMJYST-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:14808;
dbo:casNumber "34321-99-8" , "1314-20-1" , "8006-33-5";
dbo:formula "O2Th";
dbo:inchi "InChI=1S/2O.Th";
dbo:iupacName "dioxothorium"@en;
dbo:pubchem "14808"^^xsd:int;
dbo:smiles "O=[Th]=O";
dbp:inchikey "ZCUFMDLYAMJYST-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000522;
skos:inScheme vlcs:chemische_stof;
skos:notation "ThDO";
skos:prefLabel "thoriumdioxide"@nl .
csc:UDPGUMQDCGORJQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:27982;
dbo:casNumber "82375-49-3" , "16672-87-0" , "73020-07-2";
dbo:formula "C2H6ClO3P";
dbo:inchi "InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)";
dbo:iupacName "2-Chloroethylphosphonic acid"@en;
dbo:pubchem "27982"^^xsd:int;
dbo:smiles "C(CCl)P(=O)(O)O";
dbp:inchikey "UDPGUMQDCGORJQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001302;
skos:inScheme vlcs:chemische_stof;
skos:notation "etfn";
skos:prefLabel "ethefon"@nl .
csc:WUOBERCRSABHOT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR III (D3) 'antimoon en antimoonverbindingen, uitgedrukt in Antimoon (Sb)'"@nl , "VLAR II (D5) 'antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)' en 'antimoon en antimoonverbindingen, uitgedrukt als Sb'"@nl , "VLAR II bijl. 4.4.2 'antimoon en zijn verbindingen, uitgedrukt in Sb'"@nl , "VLAR III (D3) 'antimoon'"@nl , "VLAR III (D3, diverse art) 'Sb'"@nl;
rdfs:seeAlso compound:23967;
dbo:casNumber "117011-47-9" , "73063-67-9" , "7440-36-0";
dbo:formula "Sb2";
dbo:inchi "InChI=1S/2Sb";
dbo:iupacName "stibanylidynestibane"@en;
dbo:pubchem "23967"^^xsd:int;
dbo:smiles "[Sb]#[Sb]";
dbp:inchikey "WUOBERCRSABHOT-UHFFFAOYSA-N";
skos:altLabel "Antimoon (Sb)"@nl;
skos:broader csc:CHEMONTID_0000431;
skos:definition "antimoon en antimoonverbindingen, uitgedrukt als antimoon (Sb)"@nl;
skos:exactMatch wise:CAS_7440-36-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "Sb";
skos:prefLabel "antimoon"@nl .
csc:GFNANZIMVAIWHM-OBYCQNJPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:31307;
dbo:casNumber "124-94-7" , "83474-03-7";
dbo:formula "C21H27FO6";
dbo:inchi "InChI=1S/C21H27FO6/c1-18-6-5-12(24)7-11(18)3-4-13-14-8-15(25)21(28,17(27)10-23)19(14,2)9-16(26)20(13,18)22/h5-7,13-16,23,25-26,28H,3-4,8-10H2,1-2H3/t13-,14-,15+,16-,18-,19-,20-,21-/m0/s1";
dbo:iupacName "(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en;
dbo:pubchem "31307"^^xsd:int;
dbo:smiles "CC12CC(C3(C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC43C)F)O";
dbp:inchikey "GFNANZIMVAIWHM-OBYCQNJPSA-N";
skos:broader csc:CHEMONTID_0003095;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tacnln";
skos:prefLabel "triamcinolon"@nl .
csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:15098;
dbo:casNumber "1461-25-2";
dbo:formula "C16H36Sn";
dbo:inchi "InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;";
dbo:iupacName "Tetrabutylstannane"@en;
dbo:pubchem "15098"^^xsd:int;
dbo:smiles "CCCC[Sn](CCCC)(CCCC)CCCC";
dbp:inchikey "AFCAKJKUYFLYFK-UHFFFAOYSA-N";
skos:altLabel "tetrabutyltin (tebt)"@nl;
skos:broader csc:CHEMONTID_0004347;
skos:exactMatch wise:CAS_1461-25-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4C4ySn";
skos:prefLabel "tetrabutyltin"@nl .
csc:BZNDWPRGXNILMS-CLFYSBASSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6434101;
dbo:casNumber "31218-83-4";
dbo:formula "C10H20NO4PS";
dbo:inchi "InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7-";
dbo:iupacName "propan-2-yl (Z)-3-(ethylamino-methoxyphosphinothioyl)oxybut-2-enoate"@en;
dbo:pubchem "6434101"^^xsd:int;
dbo:smiles "CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C";
dbp:inchikey "BZNDWPRGXNILMS-CLFYSBASSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "proptfs";
skos:prefLabel "propetamfos"@nl .
csc:MTHSVFCYNBDYFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8117;
dbo:casNumber "111-46-6" , "4669-26-5";
dbo:formula "C4H10O3";
dbo:inchi "InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2";
dbo:iupacName "2-(2-Hydroxyethoxy)ethanol"@en;
dbo:pubchem "8117"^^xsd:int;
dbo:smiles "C(COCCO)O";
dbp:inchikey "MTHSVFCYNBDYFN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2yegcl";
skos:prefLabel "diethyleenglycol"@nl .
csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11855;
dbo:casNumber "608-93-5";
dbo:formula "C6HCl5";
dbo:inchi "InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H";
dbo:iupacName "1,2,3,4,5-Pentachlorobenzene"@en;
dbo:pubchem "11855"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "CEOCDNVZRAIOQZ-UHFFFAOYSA-N";
skos:altLabel "pentachloorbenzeen"@nl;
skos:broader csc:CHEMONTID_0001099;
skos:exactMatch wise:CAS_608-93-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "PeClBen";
skos:prefLabel "pentachloorben-zeen"@nl .
csc:BHZWBQPHPLFZSV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:62119;
dbo:casNumber "56634-95-8";
dbo:formula "C14H15Br2NO2";
dbo:inchi "InChI=1S/C14H15Br2NO2/c1-2-3-4-5-6-13(18)19-14-11(15)7-10(9-17)8-12(14)16/h7-8H,2-6H2,1H3";
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) heptanoate"@en;
dbo:pubchem "62119"^^xsd:int;
dbo:smiles "CCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br";
dbp:inchikey "BHZWBQPHPLFZSV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002319;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrOxnHpnat";
skos:prefLabel "bromoxynil heptanoaat"@nl .
csc:PWHULOQIROXLJO-OIOBTWANSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:115131;
dbo:casNumber "14092-99-0";
dbo:formula "Mn";
dbo:inchi "InChI=1S/Mn/i1-3";
dbo:iupacName "manganese-52"@en;
dbo:pubchem "115131"^^xsd:int;
dbo:smiles "[Mn]";
dbp:inchikey "PWHULOQIROXLJO-OIOBTWANSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Mn52";
skos:prefLabel "mangaan 52"@nl .
csc:LXQXZNRPTYVCNG-BJUDXGSMSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:166958;
dbo:casNumber "13981-54-9";
dbo:formula "Am";
dbo:inchi "InChI=1S/Am/i1-1";
dbo:iupacName "americium-242"@en;
dbo:pubchem "166958"^^xsd:int;
dbo:smiles "[Am]";
dbp:inchikey "LXQXZNRPTYVCNG-BJUDXGSMSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Am242";
skos:prefLabel "americium 242"@nl .
csc:NQBXSWAWVZHKBZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8160;
dbo:casNumber "112-07-2";
dbo:formula "C8H16O3";
dbo:inchi "InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3";
dbo:iupacName "2-Butoxyethyl acetate"@en;
dbo:pubchem "8160"^^xsd:int;
dbo:smiles "CCCCOCCOC(=O)C";
dbp:inchikey "NQBXSWAWVZHKBZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C4oxC2yactt";
skos:prefLabel "2-butoxyethylacetaat"@nl .
csc:JOLQKTGDSGKSKJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:15287;
dbo:casNumber "1569-02-4";
dbo:formula "C5H12O2";
dbo:inchi "InChI=1S/C5H12O2/c1-3-7-4-5(2)6/h5-6H,3-4H2,1-2H3";
dbo:iupacName "1-Ethoxypropan-2-ol"@en;
dbo:pubchem "15287"^^xsd:int;
dbo:smiles "CCOCC(C)O";
dbp:inchikey "JOLQKTGDSGKSKJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001661;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C2ox2C3ol";
skos:prefLabel "1-ethoxy-2-propanol"@nl .
csc:GBHCABUWWQUMAJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8017;
dbo:casNumber "109-84-2";
dbo:formula "C2H8N2O";
dbo:inchi "InChI=1S/C2H8N2O/c3-4-1-2-5/h4-5H,1-3H2";
dbo:iupacName "2-hydrazinylethanol"@en;
dbo:pubchem "8017"^^xsd:int;
dbo:smiles "C(CO)NN";
dbp:inchikey "GBHCABUWWQUMAJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002460;
skos:inScheme vlcs:chemische_stof;
skos:notation "2HOxC2yhdzne";
skos:prefLabel "2-hydroxyethylhydrazine"@nl .
csc:YSIIVKXVQXRKAN-LRAZUDBQSA-J
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9570322;
dbo:casNumber "10300-74-0" , "58601-87-9" , "39403-88-8" , "76199-83-2" , "16071-86-6";
dbo:formula "C31H18CuN6Na2O9S";
dbo:inchi "InChI=1S/C31H22N6O9S.Cu.2Na/c38-26-12-9-21(15-23(26)31(42)43)34-32-19-5-1-17(2-6-19)18-3-7-20(8-4-18)33-37-29-28(40)14-11-24(30(29)41)35-36-25-16-22(47(44,45)46)10-13-27(25)39;;;/h1-16,33,36,38-39H,(H,42,43)(H,44,45,46);;;/q;+2;2*+1/p-4/b34-32?,35-24+,37-29-;;;";
dbo:iupacName "copper disodium 2-oxido-5-[4-[4-[(2Z)-2-[(5E)-5-[(2-oxido-5-sulfonatophenyl)hydrazinylidene]-2,6-dioxo-1-cyclohex-3-enylidene]hydrazinyl]phenyl]phenyl]diazenylbenzoate"@en;
dbo:pubchem "9570322"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)[O-])C(=O)[O-])NN=C4C(=O)C=CC(=NNC5=C(C=CC(=C5)S(=O)(=O)[O-])[O-])C4=O.[Na+].[Na+].[Cu+2]";
dbp:inchikey "YSIIVKXVQXRKAN-LRAZUDBQSA-J";
skos:altLabel "C.I. Direct Brown 95"@nl;
skos:broader csc:CHEMONTID_0003370;
skos:inScheme vlcs:chemische_stof;
skos:notation "cidbn95";
skos:prefLabel "c.i. direct brown 95"@nl .
csc:YXISVHDWGVMPGJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:156477;
dbo:casNumber "74367-33-2";
dbo:formula "C12H24O3";
dbo:inchi "InChI=1S/C12H24O3/c1-8(2)11(14)15-10(9(3)7-13)12(4,5)6/h8-10,13H,7H2,1-6H3";
dbo:iupacName "(1-hydroxy-2,4,4-trimethylpentan-3-yl) 2-methylpropanoate"@en;
dbo:pubchem "156477"^^xsd:int;
dbo:smiles "CC(C)C(=O)OC(C(C)CO)C(C)(C)C";
dbp:inchikey "YXISVHDWGVMPGJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "1HOx244TC1y3";
skos:prefLabel "1-hydroxy-2,4,4-trimethyl-3-pentanyl 2-methylpropanoaat"@nl .
csc:AGIMOOYNBDLMJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:120228;
dbo:casNumber "377-73-1";
dbo:formula "C4HF7O3";
dbo:inchi "InChI=1S/C4HF7O3/c5-2(6,1(12)13)3(7,8)14-4(9,10)11/h(H,12,13)";
dbo:iupacName "2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoic acid"@en;
dbo:pubchem "120228"^^xsd:int;
dbo:smiles "C(=O)(C(C(OC(F)(F)F)(F)F)(F)F)O";
dbp:inchikey "AGIMOOYNBDLMJV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFMOPrA";
skos:prefLabel "perfluor-3-methoxypropaanzuur"@nl .
csc:RPNUMPOLZDHAAY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8111;
dbo:casNumber "59135-90-9" , "98824-35-2" , "53303-76-7" , "8076-55-9" , "73989-30-7" , "94700-17-1" , "26915-78-6" , "54018-92-7" , "111-40-0";
dbo:formula "C4H13N3";
dbo:inchi "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2";
dbo:iupacName "N-(2-aminoethyl)ethane-1,2-diamine"@en;
dbo:pubchem "8111"^^xsd:int;
dbo:smiles "C(CNCCN)N";
dbp:inchikey "RPNUMPOLZDHAAY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002228;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2yeTAe";
skos:prefLabel "diethyleentriamine"@nl .
csc:GKKDCARASOJPNG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:61021;
dbo:casNumber "108-62-3";
dbo:formula "C8H16O4";
dbo:inchi "InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3";
dbo:iupacName "2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane"@en;
dbo:pubchem "61021"^^xsd:int;
dbo:smiles "CC1OC(OC(OC(O1)C)C)C";
dbp:inchikey "GKKDCARASOJPNG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001656;
skos:inScheme vlcs:chemische_stof;
skos:notation "mAh";
skos:prefLabel "metaldehyde"@nl .
csc:YEIHPPOCKIHUQJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:9144;
dbo:casNumber "203-12-3";
dbo:formula "C18H10";
dbo:inchi "InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H";
dbo:iupacName "pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene"@en;
dbo:pubchem "9144"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C4=CC=CC5=C4C3=C(C=C2)C=C5";
dbp:inchikey "YEIHPPOCKIHUQJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000025;
skos:inScheme vlcs:chemische_stof;
skos:notation "BghiF";
skos:prefLabel "benzo(ghi)fluorantheen"@nl .
csc:JHJOOSLFWRRSGU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9298;
dbo:casNumber "299-84-3";
dbo:formula "C8H8Cl3O3PS";
dbo:inchi "InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3";
dbo:iupacName "dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en;
dbo:pubchem "9298"^^xsd:int;
dbo:smiles "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Cl)Cl";
dbp:inchikey "JHJOOSLFWRRSGU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004748;
skos:exactMatch wise:CAS_299-84-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenClfs";
skos:prefLabel "fenchloorfos"@nl .
csc:AIGRXSNSLVJMEA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:16421;
dbo:casNumber "65580-80-5" , "2104-64-5" , "65580-79-2";
dbo:formula "C14H14NO4PS";
dbo:inchi "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3";
dbo:iupacName "ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane"@en;
dbo:pubchem "16421"^^xsd:int;
dbo:smiles "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]";
dbp:inchikey "AIGRXSNSLVJMEA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004767;
skos:inScheme vlcs:chemische_stof;
skos:notation "EPN";
skos:prefLabel "ethyl-p-nitrofenylthiobenzeenfosfonaat"@nl .
csc:DIRFUJHNVNOBMY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:19588;
dbo:casNumber "145846-59-9" , "12773-35-2" , "3766-81-2";
dbo:formula "C12H17NO2";
dbo:inchi "InChI=1S/C12H17NO2/c1-4-9(2)10-7-5-6-8-11(10)15-12(14)13-3/h5-9H,4H2,1-3H3,(H,13,14)";
dbo:iupacName "(2-butan-2-ylphenyl) N-methylcarbamate"@en;
dbo:pubchem "19588"^^xsd:int;
dbo:smiles "CCC(C)C1=CC=CC=C1OC(=O)NC";
dbp:inchikey "DIRFUJHNVNOBMY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004640;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenbcb";
skos:prefLabel "fenobucarb"@nl .
csc:SDKQRNRRDYRQKY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23421;
dbo:casNumber "6988-21-2";
dbo:formula "C11H13NO4";
dbo:inchi "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)";
dbo:iupacName "[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate"@en;
dbo:pubchem "23421"^^xsd:int;
dbo:smiles "CNC(=O)OC1=CC=CC=C1C2OCCO2";
dbp:inchikey "SDKQRNRRDYRQKY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004742;
skos:inScheme vlcs:chemische_stof;
skos:notation "DOacb";
skos:prefLabel "dioxacarb"@nl .
csc:SEOVTRFCIGRIMH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:802;
dbo:casNumber "6305-45-9" , "87-51-4" , "54692-39-6";
dbo:formula "C10H9NO2";
dbo:inchi "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)";
dbo:iupacName "2-(1H-indol-3-yl)acetic acid"@en;
dbo:pubchem "802"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C(=CN2)CC(=O)O";
dbp:inchikey "SEOVTRFCIGRIMH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001252;
skos:inScheme vlcs:chemische_stof;
skos:notation "indlHAc";
skos:prefLabel "indolylazijnzuur"@nl .
csc:DKCPKDPYUFEZCP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:31405;
dbo:casNumber "128-39-2" , "50356-17-7";
dbo:formula "C14H22O";
dbo:inchi "InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3";
dbo:iupacName "2,6-ditert-butylphenol"@en;
dbo:pubchem "31405"^^xsd:int;
dbo:smiles "CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O";
dbp:inchikey "DKCPKDPYUFEZCP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DttC4yFol";
skos:prefLabel "2,6-di-tert-butylfenol"@nl .
csc:WXZVAROIGSFCFJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:27189;
dbo:casNumber "15299-99-7";
dbo:formula "C17H21NO2";
dbo:inchi "InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3";
dbo:iupacName "N,N-diethyl-2-naphthalen-1-yloxypropanamide"@en;
dbo:pubchem "27189"^^xsd:int;
dbo:smiles "CCN(CC)C(=O)C(C)OC1=CC=CC2=CC=CC=C21";
dbp:inchikey "WXZVAROIGSFCFJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "nappAd";
skos:prefLabel "napropamide"@nl .
csc:FPWNLURCHDRMHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16323;
dbo:casNumber "2051-62-9";
dbo:formula "C12H9Cl";
dbo:inchi "InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H";
dbo:iupacName "1-chloro-4-phenylbenzene"@en;
dbo:pubchem "16323"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=CC=C(C=C2)Cl";
dbp:inchikey "FPWNLURCHDRMHC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000500;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB3";
skos:prefLabel "4-chloorbifenyl"@nl .
csc:QDQHWKZZJJDBND-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:60971;
dbo:casNumber "78-21-7" , "8007-36-1";
dbo:formula "C24H51NO5S";
dbo:inchi "InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1";
dbo:iupacName "4-ethyl-4-hexadecylmorpholin-4-ium; ethyl sulfate"@en;
dbo:pubchem "60971"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]";
dbp:inchikey "QDQHWKZZJJDBND-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000392;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C2y4C6ymfln";
skos:prefLabel "4-ethyl-4-hexadecylmorpholiniumethylsulfaat"@nl .
csc:WPYMKLBDIGXBTP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:243;
dbo:casNumber "8013-63-6" , "65-85-0";
dbo:formula "C7H6O2";
dbo:inchi "InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)";
dbo:iupacName "benzoic acid"@en;
dbo:pubchem "243"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(=O)O";
dbp:inchikey "WPYMKLBDIGXBTP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002565;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzezr";
skos:prefLabel "benzoezuur"@nl .
csc:QYHFIVBSNOWOCQ-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:26473;
dbo:casNumber "14124-68-6";
dbo:formula "O4Se-2";
dbo:inchi "InChI=1S/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)/p-2";
dbo:iupacName "selenate"@en;
dbo:pubchem "26473"^^xsd:int;
dbo:smiles "[O-][Se](=O)(=O)[O-]";
dbp:inchikey "QYHFIVBSNOWOCQ-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001075;
skos:inScheme vlcs:chemische_stof;
skos:notation "SeO4";
skos:prefLabel "selenaat"@nl .
csc:XAMUDJHXFNRLCY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17435;
dbo:casNumber "61361-99-7" , "2597-03-7" , "61362-00-3" , "61391-87-5";
dbo:formula "C12H17O4PS2";
dbo:inchi "InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3";
dbo:iupacName "ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate"@en;
dbo:pubchem "17435"^^xsd:int;
dbo:smiles "CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC";
dbp:inchikey "XAMUDJHXFNRLCY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "fentat";
skos:prefLabel "fenthoaat"@nl .
csc:OROGSEYTTFOCAN-DNJOTXNNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5284371;
dbo:casNumber "76-57-3";
dbo:formula "C18H21NO3";
dbo:inchi "InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1";
dbo:iupacName "(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol"@en;
dbo:pubchem "5284371"^^xsd:int;
dbo:smiles "CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O";
dbp:inchikey "OROGSEYTTFOCAN-DNJOTXNNSA-N";
skos:broader csc:CHEMONTID_0000058;
skos:inScheme vlcs:chemische_stof;
skos:notation "codine";
skos:prefLabel "codeine"@nl .
csc:LRBQNJMCXXYXIU-PPKXGCFTSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16129778;
dbo:casNumber "5424-20-4";
dbo:formula "C76H52O46";
dbo:inchi "InChI=1S/C76H52O46/c77-32-1-22(2-33(78)53(32)92)67(103)113-47-16-27(11-42(87)58(47)97)66(102)112-21-52-63(119-72(108)28-12-43(88)59(98)48(17-28)114-68(104)23-3-34(79)54(93)35(80)4-23)64(120-73(109)29-13-44(89)60(99)49(18-29)115-69(105)24-5-36(81)55(94)37(82)6-24)65(121-74(110)30-14-45(90)61(100)50(19-30)116-70(106)25-7-38(83)56(95)39(84)8-25)76(118-52)122-75(111)31-15-46(91)62(101)51(20-31)117-71(107)26-9-40(85)57(96)41(86)10-26/h1-20,52,63-65,76-101H,21H2/t52-,63-,64+,65-,76+/m1/s1";
dbo:iupacName "[2,3-dihydroxy-5-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyl)oxybenzoyl]oxy]oxan-2-yl]methoxycarbonyl]phenyl] 3,4,5-trihydroxybenzoate"@en;
dbo:pubchem "16129778"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O";
dbp:inchikey "LRBQNJMCXXYXIU-PPKXGCFTSA-N";
skos:broader csc:CHEMONTID_0001710;
skos:inScheme vlcs:chemische_stof;
skos:notation "tannne";
skos:prefLabel "tannine"@nl .
csc:CYQFCXCEBYINGO-IAGOWNOFSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16078;
dbo:casNumber "6465-30-1" , "1363-19-5" , "14146-43-1" , "26108-45-2" , "14146-29-3" , "5957-27-7" , "1972-08-3";
dbo:formula "C21H30O2";
dbo:inchi "InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1";
dbo:iupacName "(6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol"@en;
dbo:pubchem "16078"^^xsd:int;
dbo:smiles "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C)O";
dbp:inchikey "CYQFCXCEBYINGO-IAGOWNOFSA-N";
skos:broader csc:CHEMONTID_0003522;
skos:inScheme vlcs:chemische_stof;
skos:notation "Thcannbnl";
skos:prefLabel "tetrahydrocannabinol"@nl .
csc:AERGGMDNGDDGPI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:140640;
dbo:casNumber "20071-09-4";
dbo:formula "C16H16";
dbo:inchi "InChI=1S/C16H16/c1-3-7-13(8-4-1)15-11-12-16(15)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2";
dbo:iupacName "(2-Phenylcyclobutyl)benzene"@en;
dbo:pubchem "140640"^^xsd:int;
dbo:smiles "C1CC(C1C2=CC=CC=C2)C3=CC=CC=C3";
dbp:inchikey "AERGGMDNGDDGPI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000253;
skos:inScheme vlcs:chemische_stof;
skos:notation "t12DFyccC4a";
skos:prefLabel "trans-1,2-difenylcyclobutaan"@nl .
csc:DMDPGPKXQDIQQG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:70931;
dbo:casNumber "1191-87-3";
dbo:formula "C12H26O6";
dbo:inchi "InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3";
dbo:iupacName "1,2-bis[2-(2-methoxyethoxy)ethoxy]ethane"@en;
dbo:pubchem "70931"^^xsd:int;
dbo:smiles "COCCOCCOCCOCCOCCOC";
dbp:inchikey "DMDPGPKXQDIQQG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "Peglyme";
skos:prefLabel "pentaglyme"@nl .
csc:LYCAIKOWRPUZTN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:174;
dbo:casNumber "107-21-1" , "71767-64-1" , "25322-68-3" , "2219-51-4" , "37225-26-6" , "37221-95-7";
dbo:formula "C2H6O2";
dbo:inchi "InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2";
dbo:iupacName "Ethane-1,2-diol"@en;
dbo:pubchem "174"^^xsd:int;
dbo:smiles "C(CO)O";
dbp:inchikey "LYCAIKOWRPUZTN-UHFFFAOYSA-N";
skos:altLabel "ethyleenglycol "@nl , "glycol (monoethyleenglycol)"@nl , "ethyleenglycol"@nl;
skos:broader csc:CHEMONTID_0002467;
skos:inScheme vlcs:chemische_stof;
skos:notation "glycl";
skos:prefLabel "polyethyleenglycol"@nl .
csc:LPLLVINFLBSFRP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:1576;
dbo:casNumber "5650-44-2" , "28521-94-0";
dbo:formula "C10H13NO";
dbo:inchi "InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3";
dbo:iupacName "2-methylamino-1-phenylpropan-1-one"@en;
dbo:pubchem "1576"^^xsd:int;
dbo:smiles "CC(C(=O)C1=CC=CC=C1)NC";
dbp:inchikey "LPLLVINFLBSFRP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004298;
skos:inScheme vlcs:chemische_stof;
skos:notation "metcinn";
skos:prefLabel "methcathinon"@nl .
csc:CPJSUEIXXCENMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:4754;
dbo:casNumber "62-44-2";
dbo:formula "C10H13NO2";
dbo:inchi "InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)";
dbo:iupacName "N-(4-Ethoxyphenyl)acetamide"@en;
dbo:pubchem "4754"^^xsd:int;
dbo:smiles "CCOC1=CC=C(C=C1)NC(=O)C";
dbp:inchikey "CPJSUEIXXCENMM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001846;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenctne";
skos:prefLabel "fenacitine"@nl .
csc:DJKGDNKYTKCJKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8266;
dbo:casNumber "115-28-6" , "5343-97-5" , "7374-78-9";
dbo:formula "C9H4Cl6O4";
dbo:inchi "InChI=1S/C9H4Cl6O4/c10-3-4(11)8(13)2(6(18)19)1(5(16)17)7(3,12)9(8,14)15/h1-2H,(H,16,17)(H,18,19)";
dbo:iupacName "1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylic acid"@en;
dbo:pubchem "8266"^^xsd:int;
dbo:smiles "C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O";
dbp:inchikey "DJKGDNKYTKCJKD-UHFFFAOYSA-N";
skos:altLabel "HETzuur"@nl;
skos:broader csc:CHEMONTID_0000346;
skos:inScheme vlcs:chemische_stof;
skos:notation "HETzr";
skos:prefLabel "hetzuur"@nl .
csc:JYRXPFCUABYLPD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:12704;
dbo:casNumber "686-07-7";
dbo:formula "C6H13NS2";
dbo:inchi "InChI=1S/C6H13NS2/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3";
dbo:iupacName "methyl diethylaminomethanedithioate"@en;
dbo:pubchem "12704"^^xsd:int;
dbo:smiles "CCN(CC)C(=S)SC";
dbp:inchikey "JYRXPFCUABYLPD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003936;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yDC2yDtocb";
skos:prefLabel "methyl diethyldithiocarbamaat"@nl .
csc:UPMLOUAZCHDJJD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7570;
dbo:casNumber "28515-38-0" , "153986-89-1" , "53633-14-0" , "88001-94-9" , "57460-66-9" , "201528-77-0" , "101-68-8" , "142690-07-1" , "77090-48-3" , "26447-40-5" , "156580-59-5" , "12125-47-2" , "97568-33-7" , "55157-41-0" , "65916-89-4";
dbo:formula "C15H10N2O2";
dbo:inchi "InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2";
dbo:iupacName "1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene"@en;
dbo:pubchem "7570"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O";
dbp:inchikey "UPMLOUAZCHDJJD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "44C1yeDFyDiC";
skos:prefLabel "4,4'-methyleendifenyldiisocyanaat"@nl .
csc:QBEXFUOWUYCXNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:19730;
dbo:casNumber "3861-47-0";
dbo:formula "C15H17I2NO2";
dbo:inchi "InChI=1S/C15H17I2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3";
dbo:iupacName "(4-cyano-2,6-diiodophenyl) octanoate"@en;
dbo:pubchem "19730"^^xsd:int;
dbo:smiles "CCCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I";
dbp:inchikey "QBEXFUOWUYCXNI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002319;
skos:inScheme vlcs:chemische_stof;
skos:notation "ioxnOcnat";
skos:prefLabel "ioxynil octanoaat"@nl .
csc:YVPSNUIHHFTTRL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17425;
dbo:casNumber "2588-04-7";
dbo:formula "C7H17O4PS3";
dbo:inchi "InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3";
dbo:iupacName "diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidenephosphorane"@en;
dbo:pubchem "17425"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCS(=O)(=O)CC";
dbp:inchikey "YVPSNUIHHFTTRL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:inScheme vlcs:chemische_stof;
skos:notation "forsfn";
skos:prefLabel "foraat-sulfon"@nl .
csc:WMXCDAVJEZZYLT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6387;
dbo:casNumber "16528-55-5" , "75-66-1" , "3374-16-1";
dbo:formula "C4H10S";
dbo:inchi "InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3";
dbo:iupacName "2-Methylpropane-2-thiol"@en;
dbo:pubchem "6387"^^xsd:int;
dbo:smiles "CC(C)(C)S";
dbp:inchikey "WMXCDAVJEZZYLT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001212;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1y2C3atol";
skos:prefLabel "2-methyl-2-propaanthiol"@nl .
csc:AFZSMODLJJCVPP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8447;
dbo:casNumber "109767-80-8" , "120-78-5";
dbo:formula "C14H8N2S4";
dbo:inchi "InChI=1S/C14H8N2S4/c1-3-7-11-9(5-1)15-13(17-11)19-20-14-16-10-6-2-4-8-12(10)18-14/h1-8H";
dbo:iupacName "2-(1,3-benzothiazol-2-yldisulfanyl)-1,3-benzothiazole"@en;
dbo:pubchem "8447"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)N=C(S2)SSC3=NC4=CC=CC=C4S3";
dbp:inchikey "AFZSMODLJJCVPP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000311;
skos:inScheme vlcs:chemische_stof;
skos:notation "22DbztazDS";
skos:prefLabel "2,2-dibenzothiazyldisulfide"@nl .
csc:CMSMOCZEIVJLDB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2907;
dbo:casNumber "75526-90-8" , "50-18-0" , "60007-96-7" , "60030-72-0" , "60007-95-6";
dbo:formula "C7H15Cl2N2O2P";
dbo:inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)";
dbo:iupacName "['(2S)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine', '(2R)-N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,N-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine']"@en;
dbo:pubchem "2907"^^xsd:int;
dbo:smiles "C1CNP(=O)(OC1)N(CCCl)CCCl";
dbp:inchikey "CMSMOCZEIVJLDB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000398;
skos:inScheme vlcs:chemische_stof;
skos:notation "cycffAd";
skos:prefLabel "cyclofosfamide"@nl .
csc:UKMSUNONTOPOIO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8215;
dbo:casNumber "16529-65-0" , "112-85-6";
dbo:formula "C22H44O2";
dbo:inchi "InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)";
dbo:iupacName "Docosanoic acid"@en;
dbo:pubchem "8215"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCC(=O)O";
dbp:inchikey "UKMSUNONTOPOIO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002950;
skos:inScheme vlcs:chemische_stof;
skos:notation "C22azr";
skos:prefLabel "docosaanzuur"@nl .
csc:NHDHVHZZCFYRSB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:91753;
dbo:casNumber "95737-68-1" , "126040-81-1";
dbo:formula "C20H19NO3";
dbo:inchi "InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3";
dbo:iupacName "2-[1-[4-(phenoxy)phenoxy]propan-2-yloxy]pyridine"@en;
dbo:pubchem "91753"^^xsd:int;
dbo:smiles "CC(COC1=CC=C(C=C1)OC2=CC=CC=C2)OC3=CC=CC=N3";
dbp:inchikey "NHDHVHZZCFYRSB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrpxfn";
skos:prefLabel "pyriproxyfen"@nl .
csc:CLQMBPJKHLGMQK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:54738;
dbo:casNumber "94795-74-1" , "108224-78-8" , "81334-34-1";
dbo:formula "C13H15N3O3";
dbo:inchi "InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)";
dbo:iupacName "2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en;
dbo:pubchem "54738"^^xsd:int;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=C(C=CC=N2)C(=O)O)C";
dbp:inchikey "CLQMBPJKHLGMQK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:inScheme vlcs:chemische_stof;
skos:notation "imzpr";
skos:prefLabel "imazapyr"@nl .
csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:4618;
dbo:casNumber "301-12-2";
dbo:formula "C6H15O4PS2";
dbo:inchi "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3";
dbo:iupacName "1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane"@en;
dbo:pubchem "4618"^^xsd:int;
dbo:smiles "CCS(=O)CCSP(=O)(OC)OC";
dbp:inchikey "PMCVMORKVPSKHZ-UHFFFAOYSA-N";
skos:altLabel "oxydemeton-methyl"@nl;
skos:broader csc:CHEMONTID_0000491;
skos:exactMatch wise:CAS_301-12-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1yOxdmtn";
skos:prefLabel "methyloxydemeton"@nl .
csc:NUPJIGQFXCQJBK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:86137;
dbo:casNumber "114311-32-9" , "182636-13-1";
dbo:formula "C15H19N3O4";
dbo:inchi "InChI=1S/C15H19N3O4/c1-8(2)15(3)14(21)17-12(18-15)11-10(13(19)20)5-9(6-16-11)7-22-4/h5-6,8H,7H2,1-4H3,(H,19,20)(H,17,18,21)";
dbo:iupacName "5-(methoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en;
dbo:pubchem "86137"^^xsd:int;
dbo:smiles "CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)COC)C(=O)O)C";
dbp:inchikey "NUPJIGQFXCQJBK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:inScheme vlcs:chemische_stof;
skos:notation "imzmx";
skos:prefLabel "imazamox"@nl .
csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:7835;
dbo:casNumber "109351-74-8" , "36250-81-4" , "6806-86-6" , "13403-37-7" , "9009-12-5" , "106-89-8" , "56227-39-5";
dbo:formula "C3H5ClO";
dbo:inchi "InChI=1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2";
dbo:iupacName "2-(Chloromethyl)oxirane"@en;
dbo:pubchem "7835"^^xsd:int;
dbo:smiles "C1C(O1)CCl";
dbp:inchikey "BRLQWZUYTZBJKN-UHFFFAOYSA-N";
skos:altLabel "epichloorhydrine"@nl , "1-chloor-2,3-epoxypropaan(epichloorhydrine)"@nl;
skos:broader csc:CHEMONTID_0000159;
skos:exactMatch wise:CAS_106-89-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "epClhdne";
skos:prefLabel "1-chloor-2,3-epoxypropaan (epichloorhydrine)"@nl .
csc:ANIAQSUBRGXWLS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9477;
dbo:casNumber "327-98-0";
dbo:formula "C10H12Cl3O2PS";
dbo:inchi "InChI=1S/C10H12Cl3O2PS/c1-3-14-16(17,4-2)15-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3";
dbo:iupacName "ethoxy-ethyl-sulfanylidene-(2,4,5-trichlorophenoxy)phosphorane"@en;
dbo:pubchem "9477"^^xsd:int;
dbo:smiles "CCOP(=S)(CC)OC1=CC(=C(C=C1Cl)Cl)Cl";
dbp:inchikey "ANIAQSUBRGXWLS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004742;
skos:inScheme vlcs:chemische_stof;
skos:notation "TClnt";
skos:prefLabel "trichloronaat"@nl .
csc:BTAGRXWGMYTPBY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:38018;
dbo:casNumber "11096-82-5" , "38380-07-3";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H";
dbo:iupacName "1,2,3-trichloro-4-(2,3,4-trichlorophenyl)benzene"@en;
dbo:pubchem "38018"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "BTAGRXWGMYTPBY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB128";
skos:prefLabel "2,2',3,3',4,4'-hexachloorbifenyl"@nl .
csc:XIUROWKZWPIAIB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19395;
dbo:casNumber "8054-28-2" , "3689-24-5";
dbo:formula "C8H20O5P2S2";
dbo:inchi "InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3";
dbo:iupacName "diethoxyphosphinothioyloxy-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "19395"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OP(=S)(OCC)OCC";
dbp:inchikey "XIUROWKZWPIAIB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001572;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulftp";
skos:prefLabel "sulfotep"@nl .
csc:ARXJGSRGQADJSQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7900;
dbo:casNumber "107-98-2" , "58769-19-0";
dbo:formula "C4H10O2";
dbo:inchi "InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3";
dbo:iupacName "1-Methoxypropan-2-ol"@en;
dbo:pubchem "7900"^^xsd:int;
dbo:smiles "CC(COC)O";
dbp:inchikey "ARXJGSRGQADJSQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001661;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1oxC3ol";
skos:prefLabel "1-methoxy-2-propanol"@nl .
csc:IIPZYDQGBIWLBU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:14994;
dbo:casNumber "1420-07-1";
dbo:formula "C10H12N2O5";
dbo:inchi "InChI=1S/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3";
dbo:iupacName "2-tert-Butyl-4,6-dinitrophenol"@en;
dbo:pubchem "14994"^^xsd:int;
dbo:smiles "CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O";
dbp:inchikey "IIPZYDQGBIWLBU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004505;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dntb";
skos:prefLabel "dinoterb"@nl .
csc:KZBOXYKTSUUBTO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12075;
dbo:casNumber "619-15-8";
dbo:formula "C7H6N2O4";
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-4-6(8(10)11)2-3-7(5)9(12)13/h2-4H,1H3";
dbo:iupacName "2-Methyl-1,4-dinitrobenzene"@en;
dbo:pubchem "12075"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "KZBOXYKTSUUBTO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "25DNO2Tol";
skos:prefLabel "2,5-dinitrotolueen"@nl .
csc:XDDAORKBJWWYJS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3496;
dbo:casNumber "40465-66-5" , "1071-83-6";
dbo:formula "C3H8NO5P";
dbo:inchi "InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)";
dbo:iupacName "2-(phosphonomethylamino)acetic acid"@en;
dbo:pubchem "3496"^^xsd:int;
dbo:smiles "C(C(=O)O)NCP(=O)(O)O";
dbp:inchikey "XDDAORKBJWWYJS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:exactMatch wise:CAS_1071-83-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "glyfst";
skos:prefLabel "glyfosaat"@nl .
csc:ZQPPMHVWECSIRJ-MDZDMXLPSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:637517;
dbo:casNumber "1120-45-2" , "112-80-1" , "2027-47-6" , "112-79-8";
dbo:formula "C18H34O2";
dbo:inchi "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+";
dbo:iupacName "['(E)-octadec-9-enoic acid', 'octadec-9-enoic acid']"@en;
dbo:pubchem "637517"^^xsd:int;
dbo:smiles "CCCCCCCCC=CCCCCCCCC(=O)O";
dbp:inchikey "ZQPPMHVWECSIRJ-MDZDMXLPSA-N";
skos:altLabel "trans-9-octadeceenzuur"@nl;
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "t9C18ezr" , "olinzr";
skos:prefLabel "oleinezuur"@nl .
csc:ZNRZGJAHNMGWQN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:23046;
dbo:casNumber "6552-12-1";
dbo:formula "C10H15O4PS";
dbo:inchi "InChI=1S/C10H15O4PS/c1-8-7-9(5-6-10(8)16-4)14-15(11,12-2)13-3/h5-7H,1-4H3";
dbo:iupacName "dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate"@en;
dbo:pubchem "23046"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)OP(=O)(OC)OC)SC";
dbp:inchikey "ZNRZGJAHNMGWQN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004742;
skos:inScheme vlcs:chemische_stof;
skos:notation "fentoOon";
skos:prefLabel "fenthion-oxon"@nl .
csc:RUPBZQFQVRMKDG-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:23558;
dbo:casNumber "154765-32-9" , "7173-51-5" , "126851-24-9";
dbo:formula "C22H48ClN";
dbo:inchi "InChI=1S/C22H48N.ClH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1";
dbo:iupacName "didecyl-dimethylazanium chloride"@en;
dbo:pubchem "23558"^^xsd:int;
dbo:smiles "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-]";
dbp:inchikey "RUPBZQFQVRMKDG-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "DDMAC";
skos:prefLabel "didecyldimethylammoniumchloride"@nl .
csc:SFYPSBLCFRKKDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:17611;
dbo:casNumber "2702-72-9" , "37353-58-5" , "58318-52-8" , "67924-78-1";
dbo:formula "C8H5Cl2NaO3";
dbo:inchi "InChI=1S/C8H5Cl2O3.Na/c9-5-1-2-7(6(10)3-5)13-8(12)4-11;/h1-3H,4H2;/q-1;+1";
dbo:iupacName "sodium 2-(2,4-dichlorophenoxy)-2-oxoethanolate"@en;
dbo:pubchem "17611"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)OC(=O)C[O-].[Na+]";
dbp:inchikey "SFYPSBLCFRKKDT-UHFFFAOYSA-N";
skos:altLabel "2,4-d natrium zout"@nl;
skos:broader csc:CHEMONTID_0002319;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DNazt";
skos:prefLabel "2,4-D natrium zout"@nl .
csc:NQQVFXUMIDALNH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:15965;
dbo:casNumber "1918-02-1";
dbo:formula "C6H3Cl3N2O2";
dbo:inchi "InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13)";
dbo:iupacName "4-Amino-3,5,6-trichloropyridine-2-carboxylic acid"@en;
dbo:pubchem "15965"^^xsd:int;
dbo:smiles "C1(=C(C(=NC(=C1Cl)Cl)C(=O)O)Cl)N";
dbp:inchikey "NQQVFXUMIDALNH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002414;
skos:inScheme vlcs:chemische_stof;
skos:notation "picrm";
skos:prefLabel "picloram"@nl .
csc:KWKXNDCHNDYVRT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:31237;
dbo:casNumber "29986-57-0" , "123-01-3" , "68442-69-3" , "28776-38-7";
dbo:formula "C18H30";
dbo:inchi "InChI=1S/C18H30/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h11,13-14,16-17H,2-10,12,15H2,1H3";
dbo:iupacName "Dodecylbenzene"@en;
dbo:pubchem "31237"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCC1=CC=CC=C1";
dbp:inchikey "KWKXNDCHNDYVRT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "dodcBen";
skos:prefLabel "dodecylbenzeen"@nl .
csc:UWSDONTXWQOZFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7526;
dbo:casNumber "68374-62-9" , "100-75-4";
dbo:formula "C5H10N2O";
dbo:inchi "InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2";
dbo:iupacName "1-Nitrosopiperidine"@en;
dbo:pubchem "7526"^^xsd:int;
dbo:smiles "C1CCN(CC1)N=O";
dbp:inchikey "UWSDONTXWQOZFN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002442;
skos:inScheme vlcs:chemische_stof;
skos:notation "NOpprdne";
skos:prefLabel "nitrosopiperidine"@nl .
csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3048;
dbo:casNumber "72-20-8";
dbo:formula "C12H8Cl6O";
dbo:inchi "InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2";
dbo:iupacName "3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene"@en;
dbo:pubchem "3048"^^xsd:int;
dbo:smiles "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "DFBKLUNHFCTMDC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001549;
skos:exactMatch wise:CAS_72-20-8 , ;
skos:inScheme vlcs:chemische_stof;
skos:notation "endn";
skos:prefLabel "endrin"@nl .
csc:LFNLGNPSGWYGGD-NJFSPNSNSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:104958;
dbo:casNumber "13968-59-7";
dbo:formula "Np";
dbo:inchi "InChI=1S/Np/i1+2";
dbo:iupacName "neptunium-239"@en;
dbo:pubchem "104958"^^xsd:int;
dbo:smiles "[Np]";
dbp:inchikey "LFNLGNPSGWYGGD-NJFSPNSNSA-N";
skos:inScheme vlcs:chemische_stof;
skos:notation "Np239";
skos:prefLabel "neptunium 239"@nl .
csc:FWFSEYBSWVRWGL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13594;
dbo:casNumber "930-68-7" , "31830-39-4" , "25512-62-3";
dbo:formula "C6H8O";
dbo:inchi "InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2";
dbo:iupacName "Cyclohex-2-en-1-one"@en;
dbo:pubchem "13594"^^xsd:int;
dbo:smiles "C1CC=CC(=O)C1";
dbp:inchikey "FWFSEYBSWVRWGL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004325;
skos:inScheme vlcs:chemische_stof;
skos:notation "2ccC6e1on";
skos:prefLabel "2-cyclohexen-1-on"@nl .
csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6028;
dbo:casNumber "58-90-2" , "12698-64-5";
dbo:formula "C6H2Cl4O";
dbo:inchi "InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H";
dbo:iupacName "2,3,4,6-Tetrachlorophenol"@en;
dbo:pubchem "6028"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl";
dbp:inchikey "VGVRPFIJEJYOFN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002772;
skos:exactMatch wise:CAS_58-90-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "2346T4ClFol";
skos:prefLabel "2,3,4,6-tetrachloorfenol"@nl .
csc:FROBCXTULYFHEJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:86122;
dbo:casNumber "111479-05-1";
dbo:formula "C22H22ClN3O5";
dbo:inchi "InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3";
dbo:iupacName "2-(propan-2-ylideneamino)oxyethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate"@en;
dbo:pubchem "86122"^^xsd:int;
dbo:smiles "CC(C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl";
dbp:inchikey "FROBCXTULYFHEJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004677;
skos:inScheme vlcs:chemische_stof;
skos:notation "propqzfp";
skos:prefLabel "propaquizafop"@nl .
csc:HOXINJBQVZWYGZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:16683004;
dbo:casNumber "12684-28-5" , "57547-75-8" , "13356-08-6";
dbo:formula "C60H78OSn2";
dbo:inchi "InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;";
dbo:iupacName "tris(2-methyl-2-phenylpropyl)-tris(2-methyl-2-phenylpropyl)stannyloxystannane"@en;
dbo:pubchem "16683004"^^xsd:int;
dbo:smiles "CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C2=CC=CC=C2)O[Sn](CC(C)(C)C3=CC=CC=C3)(CC(C)(C)C4=CC=CC=C4)CC(C)(C)C5=CC=CC=C5)C6=CC=CC=C6";
dbp:inchikey "HOXINJBQVZWYGZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:exactMatch wise:CAS_13356-08-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenbtSnO";
skos:prefLabel "fenbutatinoxide"@nl .
csc:NSWAMPCUPHPTTC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:56160;
dbo:casNumber "94365-91-0" , "90982-32-4";
dbo:formula "C15H15ClN4O6S";
dbo:inchi "InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)";
dbo:iupacName "ethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate"@en;
dbo:pubchem "56160"^^xsd:int;
dbo:smiles "CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC";
dbp:inchikey "NSWAMPCUPHPTTC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004705;
skos:inScheme vlcs:chemische_stof;
skos:notation "chlormrC2y";
skos:prefLabel "chlorimuron-ethyl"@nl .
csc:OCWLYWIFNDCWRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13357;
dbo:casNumber "53955-81-0" , "868-57-5";
dbo:formula "C6H12O2";
dbo:inchi "InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3";
dbo:iupacName "METHYL 2-METHYLBUTANOATE"@en;
dbo:pubchem "13357"^^xsd:int;
dbo:smiles "CCC(C)C(=O)OC";
dbp:inchikey "OCWLYWIFNDCWRZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "C1y2C1ybtrt";
skos:prefLabel "methyl-2-methylbutyraat"@nl .
csc:GZJNBGYLANALSV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:17212;
dbo:casNumber "2487-01-6";
dbo:formula "C13H16N2O6";
dbo:inchi "InChI=1S/C13H16N2O6/c1-7-9(14(17)18)6-10(15(19)20)12(21-8(2)16)11(7)13(3,4)5/h6H,1-5H3";
dbo:iupacName "(2-tert-butyl-3-methyl-4,6-dinitrophenyl) acetate"@en;
dbo:pubchem "17212"^^xsd:int;
dbo:smiles "CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)C(C)(C)C";
dbp:inchikey "GZJNBGYLANALSV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003969;
skos:inScheme vlcs:chemische_stof;
skos:notation "medntactt";
skos:prefLabel "medinoterbacetaat"@nl .
csc:IATXFPUBPMZBPH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:11555;
dbo:casNumber "141-83-3" , "591-01-5";
dbo:formula "C4H14N8O6S";
dbo:inchi "InChI=1S/2C2H6N4O.H2O4S/c2*3-1(4)6-2(5)7;1-5(2,3)4/h2*(H6,3,4,5,6,7);(H2,1,2,3,4)";
dbo:iupacName "diaminomethylideneurea;sulfuric acid"@en;
dbo:pubchem "11555"^^xsd:int;
dbo:smiles "C(=NC(=O)N)(N)N.C(=NC(=O)N)(N)N.OS(=O)(=O)O";
dbp:inchikey "IATXFPUBPMZBPH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001180;
skos:inScheme vlcs:chemische_stof;
skos:notation "guanurum";
skos:prefLabel "guanylureum"@nl .
csc:ICUTUKXCWQYESQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7547;
dbo:casNumber "101-20-2";
dbo:formula "C13H9Cl3N2O";
dbo:inchi "InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)";
dbo:iupacName "3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)urea"@en;
dbo:pubchem "7547"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl";
dbp:inchikey "ICUTUKXCWQYESQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tccbn";
skos:prefLabel "triclocarban"@nl .
csc:OMOLDRXZKFFGJI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3035207;
dbo:casNumber "53380-22-6";
dbo:formula "C11H15NO3S";
dbo:inchi "InChI=1S/C11H15NO3S/c1-3-16(14)8-9-6-4-5-7-10(9)15-11(13)12-2/h4-7H,3,8H2,1-2H3,(H,12,13)";
dbo:iupacName "[2-(ethylsulfinylmethyl)phenyl] N-methylcarbamate"@en;
dbo:pubchem "3035207"^^xsd:int;
dbo:smiles "CCS(=O)CC1=CC=CC=C1OC(=O)NC";
dbp:inchikey "OMOLDRXZKFFGJI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004640;
skos:inScheme vlcs:chemische_stof;
skos:notation "etofcbSO";
skos:prefLabel "ethiofencarbsulfoxide"@nl .
csc:XUIIKFGFIJCVMT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:853;
dbo:casNumber "300-30-1" , "51-48-9";
dbo:formula "C15H11I4NO4";
dbo:inchi "InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)";
dbo:iupacName "2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid"@en;
dbo:pubchem "853"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N";
dbp:inchikey "XUIIKFGFIJCVMT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004321;
skos:inScheme vlcs:chemische_stof;
skos:notation "levtrxne";
skos:prefLabel "levothyroxine"@nl .
csc:TZOVOULUMXXLOJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:66027;
dbo:casNumber "103-19-5";
dbo:formula "C14H14S2";
dbo:inchi "InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3";
dbo:iupacName "1-methyl-4-(4-methylphenyl)disulfanylbenzene"@en;
dbo:pubchem "66027"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)SSC2=CC=C(C=C2)C";
dbp:inchikey "TZOVOULUMXXLOJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001091;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1yDFyeDS";
skos:prefLabel "dimethyldifenyleendisulfide"@nl .
csc:ORFWYUFLWUWSFM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:12588;
dbo:casNumber "646-13-9";
dbo:formula "C22H44O2";
dbo:inchi "InChI=1S/C22H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h21H,4-20H2,1-3H3";
dbo:iupacName "2-Methylpropyl octadecanoate"@en;
dbo:pubchem "12588"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)OCC(C)C";
dbp:inchikey "ORFWYUFLWUWSFM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "IC4ysart";
skos:prefLabel "isobutylstearaat"@nl .
csc:XXOYNJXVWVNOOJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7560;
dbo:casNumber "101-42-8";
dbo:formula "C9H12N2O";
dbo:inchi "InChI=1S/C9H12N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)";
dbo:iupacName "1,1-Dimethyl-3-phenylurea"@en;
dbo:pubchem "7560"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC=CC=C1";
dbp:inchikey "XXOYNJXVWVNOOJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "fenrn";
skos:prefLabel "fenuron"@nl .
csc:YLKFDHTUAUWZPQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:12130;
dbo:casNumber "621-64-7";
dbo:formula "C6H14N2O";
dbo:inchi "InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3";
dbo:iupacName "N,N-dipropylnitrous amide"@en;
dbo:pubchem "12130"^^xsd:int;
dbo:smiles "CCCN(CCC)N=O";
dbp:inchikey "YLKFDHTUAUWZPQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004777;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC3yNOAe";
skos:prefLabel "dipropylnitrosamine"@nl .
csc:XVOKUMIPKHGGTN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:54740;
dbo:casNumber "81335-77-5";
dbo:formula "C15H19N3O3";
dbo:inchi "InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)";
dbo:iupacName "5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid"@en;
dbo:pubchem "54740"^^xsd:int;
dbo:smiles "CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O";
dbp:inchikey "XVOKUMIPKHGGTN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000060;
skos:inScheme vlcs:chemische_stof;
skos:notation "imztpr";
skos:prefLabel "imazethapyr"@nl .
csc:WTLBZVNBAKMVDP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6540;
dbo:casNumber "78-51-3" , "19040-50-7" , "31227-66-4" , "119166-98-2";
dbo:formula "C18H39O7P";
dbo:inchi "InChI=1S/C18H39O7P/c1-4-7-10-20-13-16-23-26(19,24-17-14-21-11-8-5-2)25-18-15-22-12-9-6-3/h4-18H2,1-3H3";
dbo:iupacName "Tris(2-butoxyethyl) phosphate"@en;
dbo:pubchem "6540"^^xsd:int;
dbo:smiles "CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC";
dbp:inchikey "WTLBZVNBAKMVDP-UHFFFAOYSA-N";
skos:altLabel "tris(2-butoxyethyl)fosfaat"@nl;
skos:broader csc:CHEMONTID_0003460;
skos:inScheme vlcs:chemische_stof;
skos:notation "tris2C4oxC2y";
skos:prefLabel "tributoxyethylfosfaat"@nl .
csc:RZCJYMOBWVJQGV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8422;
dbo:casNumber "120-23-0";
dbo:formula "C12H10O3";
dbo:inchi "InChI=1S/C12H10O3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,13,14)";
dbo:iupacName "2-naphthalen-2-yloxyacetic acid"@en;
dbo:pubchem "8422"^^xsd:int;
dbo:smiles "C1=CC=C2C=C(C=CC2=C1)OCC(=O)O";
dbp:inchikey "RZCJYMOBWVJQGV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "2NyOxHac";
skos:prefLabel "2-nafthyloxyazijnzuur"@nl .
csc:CUKXSBOAIJILRY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:162181;
dbo:casNumber "62572-94-5";
dbo:formula "C14H23NO3";
dbo:inchi "InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3";
dbo:iupacName "1-[4-(2-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en;
dbo:pubchem "162181"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCO)O";
dbp:inchikey "CUKXSBOAIJILRY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000139;
skos:inScheme vlcs:chemische_stof;
skos:notation "odC1ymtpll";
skos:prefLabel "o-desmethylmetoprolol"@nl .
csc:JOVOSQBPPZZESK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:60962;
dbo:casNumber "59-88-1" , "27140-08-5" , "100-63-0";
dbo:formula "C6H9ClN2";
dbo:inchi "InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H";
dbo:iupacName "PHENYLHYDRAZINE HYDROCHLORIDE"@en;
dbo:pubchem "60962"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)NN.Cl";
dbp:inchikey "JOVOSQBPPZZESK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000113;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fyhdzne";
skos:prefLabel "fenylhydrazine"@nl .
csc:GPAPPPVRLPGFEQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6625;
dbo:casNumber "85228-26-8" , "80-07-9";
dbo:formula "C12H8Cl2O2S";
dbo:inchi "InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H";
dbo:iupacName "1-chloro-4-(4-chlorophenyl)sulfonylbenzene"@en;
dbo:pubchem "6625"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl";
dbp:inchikey "GPAPPPVRLPGFEQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004233;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DClDFysfn";
skos:prefLabel "4,4'-dichloordifenylsulfon"@nl .
csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:13089;
dbo:casNumber "789-02-6" , "58633-26-4";
dbo:formula "C14H9Cl5";
dbo:inchi "InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H";
dbo:iupacName "1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene"@en;
dbo:pubchem "13089"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl";
dbp:inchikey "CVUGPAFCQJIYDT-UHFFFAOYSA-N";
skos:altLabel "2,4'-dichloordifenyltrichloorethaan"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:exactMatch wise:CAS_789-02-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DDT";
skos:prefLabel "o,p’-ddt"@nl .
csc:HTDJPCNNEPUOOQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10914;
dbo:casNumber "541-05-9";
dbo:formula "C6H18O3Si3";
dbo:inchi "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3";
dbo:iupacName "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane"@en;
dbo:pubchem "10914"^^xsd:int;
dbo:smiles "C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C";
dbp:inchikey "HTDJPCNNEPUOOQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004445;
skos:inScheme vlcs:chemische_stof;
skos:notation "HxC1yccTslxn";
skos:prefLabel "hexamethylcyclotrisiloxaan"@nl .
csc:WEXRUCMBJFQVBZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:4737;
dbo:casNumber "76-74-4";
dbo:formula "C11H18N2O3";
dbo:inchi "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)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-pentan-2-yl-1,3-diazinane-2,4,6-trione"@en;
dbo:pubchem "4737"^^xsd:int;
dbo:smiles "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC";
dbp:inchikey "WEXRUCMBJFQVBZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000291;
skos:inScheme vlcs:chemische_stof;
skos:notation "pentbbtl";
skos:prefLabel "pentobarbital"@nl .
csc:VSHTWPWTCXQLQN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:14310;
dbo:casNumber "1126-78-9";
dbo:formula "C10H15N";
dbo:inchi "InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3";
dbo:iupacName "N-Butylaniline"@en;
dbo:pubchem "14310"^^xsd:int;
dbo:smiles "CCCCNC1=CC=CC=C1";
dbp:inchikey "VSHTWPWTCXQLQN-UHFFFAOYSA-N";
skos:altLabel "N-butylaniline"@nl;
skos:broader csc:CHEMONTID_0003924;
skos:inScheme vlcs:chemische_stof;
skos:notation "NC4yAn";
skos:prefLabel "n-butylaniline"@nl .
csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16826;
dbo:casNumber "2307-68-8";
dbo:formula "C13H18ClNO";
dbo:inchi "InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)";
dbo:iupacName "N-(3-Chloro-4-methylphenyl)-2-methylpentanamide"@en;
dbo:pubchem "16826"^^xsd:int;
dbo:smiles "CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl";
dbp:inchikey "WGVWLKXZBUVUAM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "PenCl";
skos:prefLabel "pentanochloor"@nl .
csc:JJGYGPZNTOPXGV-SSTWWWIQSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5462507;
dbo:casNumber "2784-73-8";
dbo:formula "C19H21NO4";
dbo:inchi "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1";
dbo:iupacName "[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate"@en;
dbo:pubchem "5462507"^^xsd:int;
dbo:smiles "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C";
dbp:inchikey "JJGYGPZNTOPXGV-SSTWWWIQSA-N";
skos:broader csc:CHEMONTID_0000058;
skos:inScheme vlcs:chemische_stof;
skos:notation "6oMactmfne";
skos:prefLabel "6-o-monoacetylmorfine"@nl .
csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5462310;
dbo:casNumber "7440-44-0";
dbo:formula "C";
dbo:inchi "InChI=1S/C";
dbo:iupacName "Carbon"@en;
dbo:pubchem "5462310"^^xsd:int;
dbo:smiles "[C]";
dbp:inchikey "OKTJSMMVPCPJKN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000000;
skos:exactMatch wise:CAS_7440-44-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "C";
skos:prefLabel "koolstof"@nl .
csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso compound:47650;
dbo:casNumber "65510-44-3";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H";
dbo:iupacName "1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene"@en;
dbo:pubchem "47650"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl";
dbp:inchikey "YAHNWSSFXMVPOU-UHFFFAOYSA-N";
skos:altLabel "2',3,4,4',5-pentachloorbifenyl (pcb123)"@nl , "2,3',4,4',5'-pentachloorbifenyl"@nl , "pcb 123"@nl;
skos:broader csc:CHEMONTID_0003030;
skos:exactMatch wise:CAS_65510-44-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB123";
skos:prefLabel "PCB 123"@nl .
csc:VTLYFUHAOXGGBS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:29936;
dbo:casNumber "20074-52-6";
dbo:formula "Fe+3";
dbo:inchi "InChI=1S/Fe/q+3";
dbo:iupacName "iron(+3) cation"@en;
dbo:pubchem "29936"^^xsd:int;
dbo:smiles "[Fe+3]";
dbp:inchikey "VTLYFUHAOXGGBS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "FeIII";
skos:prefLabel "ijzer (driewaardig)"@nl .
csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:123591;
dbo:casNumber "99685-96-8";
dbo:formula "C60";
dbo:inchi "InChI=1S/C60/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59";
dbo:iupacName "(C60-Ih)[5,6]fullerene"@en;
dbo:pubchem "123591"^^xsd:int;
dbo:smiles "C12=C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C(=C29)C3=C2C3=C4C4=C5C5=C9C6=C7C6=C7C8=C1C1=C8C%10=C%10C%11=C2C2=C3C3=C4C4=C5C5=C%11C%12=C(C6=C95)C7=C1C1=C%12C5=C%11C4=C3C3=C5C(=C81)C%10=C23";
dbp:inchikey "XMWRBQBLMFGWIX-UHFFFAOYSA-N";
skos:altLabel "fullereen C60"@nl;
skos:broader csc:CHEMONTID_0000518;
skos:inScheme vlcs:chemische_stof;
skos:notation "fullrnC60";
skos:prefLabel "fullereen c60"@nl .
csc:MIZGSAALSYARKU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:92292;
dbo:casNumber "33704-61-9" , "155667-06-4";
dbo:formula "C14H22O";
dbo:inchi "InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3";
dbo:iupacName "1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one"@en;
dbo:pubchem "92292"^^xsd:int;
dbo:smiles "CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C";
dbp:inchikey "MIZGSAALSYARKU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004325;
skos:inScheme vlcs:chemische_stof;
skos:notation "DPMI";
skos:prefLabel "cashmeran"@nl .
csc:PXUULQAPEKKVAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:67542;
dbo:casNumber "307-24-4";
dbo:formula "C6HF11O2";
dbo:inchi "InChI=1S/C6HF11O2/c7-2(8,1(18)19)3(9,10)4(11,12)5(13,14)6(15,16)17/h(H,18,19)";
dbo:iupacName "2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid"@en;
dbo:pubchem "67542"^^xsd:int;
dbo:smiles "C(=O)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)O";
dbp:inchikey "PXUULQAPEKKVAH-UHFFFAOYSA-N";
skos:altLabel "perfluorhexaanzuur (pfhxa)"@nl , "perfluor-n-hexaanzuur"@nl , "perfluorhexaanzuur"@nl;
skos:broader csc:CHEMONTID_0003962;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFHxA";
skos:prefLabel "perfluor-n-hexaanzuur (pfhxa)"@nl .
csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:15546;
dbo:casNumber "58858-18-7" , "1698-60-8";
dbo:formula "C10H8ClN3O";
dbo:inchi "InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2";
dbo:iupacName "5-amino-4-chloro-2-phenylpyridazin-3-one"@en;
dbo:pubchem "15546"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl";
dbp:inchikey "WYKYKTKDBLFHCY-UHFFFAOYSA-N";
skos:altLabel "chloridazon"@nl;
skos:broader csc:CHEMONTID_0000208;
skos:exactMatch wise:CAS_1698-60-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clidzn";
skos:prefLabel "chloridazon (pyrazon)"@nl .
csc:OMFRMAHOUUJSGP-UNOMPAQXSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5281872;
dbo:casNumber "82657-04-3" , "92880-79-0";
dbo:formula "C23H22ClF3O2";
dbo:inchi "InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-";
dbo:iupacName "['(2-methyl-3-phenylphenyl)methyl 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '(2-methyl-3-phenylphenyl)methyl 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']"@en;
dbo:pubchem "5281872"^^xsd:int;
dbo:smiles "CC1=C(C=CC=C1C2=CC=CC=C2)COC(=O)C3C(C3(C)C)C=C(C(F)(F)F)Cl";
dbp:inchikey "OMFRMAHOUUJSGP-UNOMPAQXSA-N";
skos:broader csc:CHEMONTID_0000041;
skos:inScheme vlcs:chemische_stof;
skos:notation "biftn";
skos:prefLabel "bifenthrin"@nl .
csc:CXNVOWPRHWWCQR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7251;
dbo:casNumber "87999-30-2" , "95-69-2";
dbo:formula "C7H8ClN";
dbo:inchi "InChI=1S/C7H8ClN/c1-5-4-6(8)2-3-7(5)9/h2-4H,9H2,1H3";
dbo:iupacName "4-Chloro-2-methylaniline"@en;
dbo:pubchem "7251"^^xsd:int;
dbo:smiles "CC1=C(C=CC(=C1)Cl)N";
dbp:inchikey "CXNVOWPRHWWCQR-UHFFFAOYSA-N";
skos:altLabel "4-chloor-2-methylaniline (p-chloor-o-toluidine)"@nl;
skos:broader csc:CHEMONTID_0003964;
skos:inScheme vlcs:chemische_stof;
skos:notation "4Cl2C1yAn";
skos:prefLabel "4-chloor-2-methylaniline"@nl .
csc:VNKBTWQZTQIWDV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:71482;
dbo:casNumber "35575-96-3" , "59217-99-1" , "51274-12-5";
dbo:formula "C9H10ClN2O5PS";
dbo:inchi "InChI=1S/C9H10ClN2O5PS/c1-15-18(14,16-2)19-5-12-8-7(17-9(12)13)3-6(10)4-11-8/h3-4H,5H2,1-2H3";
dbo:iupacName "6-chloro-3-(dimethoxyphosphorylsulfanylmethyl)-[1,3]oxazolo[4,5-b]pyridin-2-one"@en;
dbo:pubchem "71482"^^xsd:int;
dbo:smiles "COP(=O)(OC)SCN1C2=C(C=C(C=N2)Cl)OC1=O";
dbp:inchikey "VNKBTWQZTQIWDV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002118;
skos:inScheme vlcs:chemische_stof;
skos:notation "azmtfs";
skos:prefLabel "azamethifos"@nl .
csc:ZQSIJRDFPHDXIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5281708;
dbo:casNumber "486-66-8";
dbo:formula "C15H10O4";
dbo:inchi "InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H";
dbo:iupacName "7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one"@en;
dbo:pubchem "5281708"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O";
dbp:inchikey "ZQSIJRDFPHDXIC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000494;
skos:inScheme vlcs:chemische_stof;
skos:notation "daizine";
skos:prefLabel "daidzeine"@nl .
csc:YNVGQYHLRCDXFQ-XGXHKTLJSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5857;
dbo:casNumber "52-76-6";
dbo:formula "C20H28O";
dbo:inchi "InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1";
dbo:iupacName "(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol"@en;
dbo:pubchem "5857"^^xsd:int;
dbo:smiles "CC12CCC3C(C1CCC2(C#C)O)CCC4=CCCCC34";
dbp:inchikey "YNVGQYHLRCDXFQ-XGXHKTLJSA-N";
skos:broader csc:CHEMONTID_0001466;
skos:inScheme vlcs:chemische_stof;
skos:notation "lyntnl";
skos:prefLabel "lynestrenol"@nl .
csc:JBKVHLHDHHXQEQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7768;
dbo:casNumber "34876-18-1" , "117955-36-9" , "32838-21-4" , "105-60-2" , "168214-28-6" , "32838-23-6" , "2953-03-9";
dbo:formula "C6H11NO";
dbo:inchi "InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)";
dbo:iupacName "azepan-2-one"@en;
dbo:pubchem "7768"^^xsd:int;
dbo:smiles "C1CCC(=O)NCC1";
dbp:inchikey "JBKVHLHDHHXQEQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000163;
skos:inScheme vlcs:chemische_stof;
skos:notation "ecapltm";
skos:prefLabel "epsilon-caprolactam"@nl .
csc:RRPCXIBGXYGQNC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:20661;
dbo:casNumber "4537-15-9";
dbo:formula "C17H28";
dbo:inchi "InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3";
dbo:iupacName "undecan-5-ylbenzene"@en;
dbo:pubchem "20661"^^xsd:int;
dbo:smiles "CCCCCCC(CCCC)C1=CC=CC=C1";
dbp:inchikey "RRPCXIBGXYGQNC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C4yC7yBen";
skos:prefLabel "1-(butylheptyl)-benzeen"@nl .
csc:BYYMILHAKOURNM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19587;
dbo:casNumber "3766-60-7";
dbo:formula "C12H13ClN2O";
dbo:inchi "InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)";
dbo:iupacName "1-but-3-yn-2-yl-3-(4-chlorophenyl)-1-methylurea"@en;
dbo:pubchem "19587"^^xsd:int;
dbo:smiles "CC(C#C)N(C)C(=O)NC1=CC=C(C=C1)Cl";
dbp:inchikey "BYYMILHAKOURNM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:inScheme vlcs:chemische_stof;
skos:notation "butrn";
skos:prefLabel "buturon"@nl .
csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91650;
dbo:casNumber "53112-28-0";
dbo:formula "C12H13N3";
dbo:inchi "InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)";
dbo:iupacName "4,6-dimethyl-N-phenylpyrimidin-2-amine"@en;
dbo:pubchem "91650"^^xsd:int;
dbo:smiles "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C";
dbp:inchikey "ZLIBICFPKPWGIZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:exactMatch wise:CAS_53112-28-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrmtnl";
skos:prefLabel "pyrimethanil"@nl .
csc:ALRLPDGCPYIVHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:21694;
dbo:casNumber "63021-86-3" , "5522-43-0";
dbo:formula "C16H9NO2";
dbo:inchi "InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H";
dbo:iupacName "1-Nitropyrene"@en;
dbo:pubchem "21694"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)[N+](=O)[O-]";
dbp:inchikey "ALRLPDGCPYIVHP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001851;
skos:inScheme vlcs:chemische_stof;
skos:notation "1NO2Pyr";
skos:prefLabel "1-nitropyreen"@nl .
csc:QHTQREMOGMZHJV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:34192;
dbo:casNumber "28249-77-6";
dbo:formula "C12H16ClNOS";
dbo:inchi "InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3";
dbo:iupacName "S-[(4-chlorophenyl)methyl] diethylaminomethanethioate"@en;
dbo:pubchem "34192"^^xsd:int;
dbo:smiles "CCN(CC)C(=O)SCC1=CC=C(C=C1)Cl";
dbp:inchikey "QHTQREMOGMZHJV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "tobcb";
skos:prefLabel "thiobencarb"@nl .
csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8370;
dbo:casNumber "118-74-1";
dbo:formula "C6Cl6";
dbo:inchi "InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9";
dbo:iupacName "1,2,3,4,5,6-hexachlorobenzene"@en;
dbo:pubchem "8370"^^xsd:int;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "CKAPSXZOOQJIBF-UHFFFAOYSA-N";
skos:altLabel "hexachloorbenzeen (hcb)"@nl;
skos:broader csc:CHEMONTID_0001099;
skos:exactMatch wise:CAS_118-74-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCB";
skos:prefLabel "hexachloorbenzeen"@nl .
csc:YXHKONLOYHBTNS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9550;
dbo:casNumber "334-88-3";
dbo:formula "CH2N2";
dbo:inchi "InChI=1S/CH2N2/c1-3-2/h1H2";
dbo:iupacName "DIAZOMETHANE"@en;
dbo:pubchem "9550"^^xsd:int;
dbo:smiles "C=[N+]=[N-]";
dbp:inchikey "YXHKONLOYHBTNS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003688;
skos:inScheme vlcs:chemische_stof;
skos:notation "DazC1a";
skos:prefLabel "diazomethaan"@nl .
csc:NWESJZZPAJGHRZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6976;
dbo:casNumber "89-60-1";
dbo:formula "C7H6ClNO2";
dbo:inchi "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3";
dbo:iupacName "1-Chloro-4-methyl-2-nitrobenzene"@en;
dbo:pubchem "6976"^^xsd:int;
dbo:smiles "CC1=CC(=C(C=C1)Cl)[N+](=O)[O-]";
dbp:inchikey "NWESJZZPAJGHRZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "4Cl3NO2Tol";
skos:prefLabel "4-chloor-3-nitrotolueen"@nl .
csc:SMQMWHHMXSBKEP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3017044;
dbo:casNumber "31637-97-5" , "56775-91-8";
dbo:formula "C18H19Cl2NO5";
dbo:inchi "InChI=1S/C18H18ClNO5.ClH/c1-18(2,25-15-7-5-14(19)6-8-15)17(22)24-11-10-23-16(21)13-4-3-9-20-12-13;/h3-9,12H,10-11H2,1-2H3;1H";
dbo:iupacName "2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyethyl pyridine-3-carboxylate hydrochloride"@en;
dbo:pubchem "3017044"^^xsd:int;
dbo:smiles "CC(C)(C(=O)OCCOC(=O)C1=CN=CC=C1)OC2=CC=C(C=C2)Cl.Cl";
dbp:inchikey "SMQMWHHMXSBKEP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "etfbt";
skos:prefLabel "etofibraat"@nl .
csc:KVMPUXDNESXNOH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:26176;
dbo:casNumber "16839-32-0" , "76025-08-6" , "13674-84-5" , "215035-31-7";
dbo:formula "C9H18Cl3O4P";
dbo:inchi "InChI=1S/C9H18Cl3O4P/c1-7(4-10)14-17(13,15-8(2)5-11)16-9(3)6-12/h7-9H,4-6H2,1-3H3";
dbo:iupacName "tris(1-chloropropan-2-yl) phosphate"@en;
dbo:pubchem "26176"^^xsd:int;
dbo:smiles "CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl";
dbp:inchikey "KVMPUXDNESXNOH-UHFFFAOYSA-N";
skos:altLabel "tris(1-chloor-2-propyl)fosfaat"@nl;
skos:broader csc:CHEMONTID_0003460;
skos:inScheme vlcs:chemische_stof;
skos:notation "TClC3yPO4";
skos:prefLabel "tris-(2-chloorisopropyl)-fosfaat"@nl .
csc:XTHFKEDIFFGKHM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8071;
dbo:casNumber "24991-55-7" , "110-71-4" , "173201-80-4";
dbo:formula "C4H10O2";
dbo:inchi "InChI=1S/C4H10O2/c1-5-3-4-6-2/h3-4H2,1-2H3";
dbo:iupacName "1,2-Dimethoxyethane"@en;
dbo:pubchem "8071"^^xsd:int;
dbo:smiles "COCCOC";
dbp:inchikey "XTHFKEDIFFGKHM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DC1oxC2a";
skos:prefLabel "1,2-dimethoxyethaan"@nl .
csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:31645;
dbo:casNumber "23103-98-2";
dbo:formula "C11H18N4O2";
dbo:inchi "InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3";
dbo:iupacName "(2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate"@en;
dbo:pubchem "31645"^^xsd:int;
dbo:smiles "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C";
dbp:inchikey "YFGYUFNIOHWBOB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003901;
skos:exactMatch wise:CAS_23103-98-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "pirmcb";
skos:prefLabel "pirimicarb"@nl .
csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4004;
dbo:casNumber "121-75-5" , "11096-67-6";
dbo:formula "C10H19O6PS2";
dbo:inchi "InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3";
dbo:iupacName "diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate"@en;
dbo:pubchem "4004"^^xsd:int;
dbo:smiles "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC";
dbp:inchikey "JXSJBGJIGXNWCI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:exactMatch wise:CAS_121-75-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "malton";
skos:prefLabel "malathion"@nl .
csc:AYIRNRDRBQJXIF-NXEZZACHSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:114811;
dbo:casNumber "76639-94-6" , "81588-76-3" , "73231-34-2";
dbo:formula "C12H14Cl2FNO4S";
dbo:inchi "InChI=1S/C12H14Cl2FNO4S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-15)16-12(18)11(13)14/h2-5,9-11,17H,6H2,1H3,(H,16,18)/t9-,10-/m1/s1";
dbo:iupacName "2,2-dichloro-N-[(1R,2S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide"@en;
dbo:pubchem "114811"^^xsd:int;
dbo:smiles "CS(=O)(=O)C1=CC=C(C=C1)C(C(CF)NC(=O)C(Cl)Cl)O";
dbp:inchikey "AYIRNRDRBQJXIF-NXEZZACHSA-N";
skos:broader csc:CHEMONTID_0004233;
skos:inScheme vlcs:chemische_stof;
skos:notation "florfncl";
skos:prefLabel "florfenicol"@nl .
csc:CCGPUGMWYLICGL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11145;
dbo:casNumber "555-37-3";
dbo:formula "C12H16Cl2N2O";
dbo:inchi "InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)";
dbo:iupacName "1-Butyl-3-(3,4-dichlorophenyl)-1-methylurea"@en;
dbo:pubchem "11145"^^xsd:int;
dbo:smiles "CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl";
dbp:inchikey "CCGPUGMWYLICGL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:inScheme vlcs:chemische_stof;
skos:notation "nebrn";
skos:prefLabel "neburon"@nl .
csc:NKRVGWFEFKCZAP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62823;
dbo:casNumber "27247-96-7";
dbo:formula "C8H17NO3";
dbo:inchi "InChI=1S/C8H17NO3/c1-3-5-6-8(4-2)7-12-9(10)11/h8H,3-7H2,1-2H3";
dbo:iupacName "2-Ethylhexyl nitrate"@en;
dbo:pubchem "62823"^^xsd:int;
dbo:smiles "CCCCC(CC)CO[N+](=O)[O-]";
dbp:inchikey "NKRVGWFEFKCZAP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004091;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C2yC6yNO3";
skos:prefLabel "2-ethylhexylnitraat"@nl .
csc:JARYYMUOCXVXNK-CSLFJTBJSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:443629;
dbo:casNumber "37248-47-8";
dbo:formula "C20H35NO13";
dbo:inchi "InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10-,11-,12+,13+,14-,15+,16+,17-,18-,19-,20+/m1/s1";
dbo:iupacName "(2R,3R,4S,5S,6R)-2-[(1R,2R,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"@en;
dbo:pubchem "443629"^^xsd:int;
dbo:smiles "C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)O)O)O)CO";
dbp:inchikey "JARYYMUOCXVXNK-CSLFJTBJSA-N";
skos:broader csc:CHEMONTID_0002207;
skos:inScheme vlcs:chemische_stof;
skos:notation "valdmcne";
skos:prefLabel "validamycine"@nl .
csc:GTVWRXDRKAHEAD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6537;
dbo:casNumber "78-42-2";
dbo:formula "C24H51O4P";
dbo:inchi "InChI=1S/C24H51O4P/c1-7-13-16-22(10-4)19-26-29(25,27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3";
dbo:iupacName "['Tris(2-ethylhexyl) phosphate', 'tris(2-ethylhexoxy)-hydroxyphosphanium']"@en;
dbo:pubchem "6537"^^xsd:int;
dbo:smiles "CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC";
dbp:inchikey "GTVWRXDRKAHEAD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003460;
skos:inScheme vlcs:chemische_stof;
skos:notation "tris2C2yC6yP";
skos:prefLabel "tris(2-ethylhexyl)fosfaat"@nl .
csc:YOALFLHFSFEMLP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:62525;
dbo:casNumber "77751-76-9" , "3825-26-1" , "95328-99-7";
dbo:formula "C8H4F15NO2";
dbo:inchi "InChI=1S/C8HF15O2.H3N/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);1H3";
dbo:iupacName "azane; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid"@en;
dbo:pubchem "62525"^^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.N";
dbp:inchikey "YOALFLHFSFEMLP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003962;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFOA_NH4";
skos:prefLabel "perfluoroctaanzuur, ammoniumzout"@nl .
csc:GBDZXPJXOMHESU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12463;
dbo:casNumber "13280-72-3" , "63697-20-1" , "634-66-2";
dbo:formula "C6H2Cl4";
dbo:inchi "InChI=1S/C6H2Cl4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H";
dbo:iupacName "1,2,3,4-Tetrachlorobenzene"@en;
dbo:pubchem "12463"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1Cl)Cl)Cl)Cl";
dbp:inchikey "GBDZXPJXOMHESU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "1234T4ClBen";
skos:prefLabel "1,2,3,4-tetrachloorbenzeen"@nl .
csc:HUMNYLRZRPPJDN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:240;
dbo:casNumber "100-52-7";
dbo:formula "C7H6O";
dbo:inchi "InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H";
dbo:iupacName "BENZALDEHYDE"@en;
dbo:pubchem "240"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C=O";
dbp:inchikey "HUMNYLRZRPPJDN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000321;
skos:inScheme vlcs:chemische_stof;
skos:notation "BenAh";
skos:prefLabel "benzaldehyde"@nl .
csc:VSVAQRUUFVBBFS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:91771;
dbo:casNumber "104653-34-1";
dbo:formula "C31H23BrO2S";
dbo:inchi "InChI=1S/C31H23BrO2S/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-hydroxythiochromen-4-one"@en;
dbo:pubchem "91771"^^xsd:int;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(SC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br";
dbp:inchikey "VSVAQRUUFVBBFS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002044;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dftiln";
skos:prefLabel "difethialon"@nl .
csc:DOGIHOCMZJUJNR-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16665;
dbo:casNumber "2216-34-4";
dbo:formula "C9H20";
dbo:inchi "InChI=1S/C9H20/c1-4-6-8-9(3)7-5-2/h9H,4-8H2,1-3H3";
dbo:iupacName "4-Methyloctane"@en;
dbo:pubchem "16665"^^xsd:int;
dbo:smiles "CCCCC(C)CCC";
dbp:inchikey "DOGIHOCMZJUJNR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1yC8a";
skos:prefLabel "4-methyloctaan"@nl .
csc:FAOZLTXFLGPHNG-KNAQIMQKSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9878;
dbo:casNumber "426-13-1";
dbo:formula "C22H29FO4";
dbo:inchi "InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1";
dbo:iupacName "(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one"@en;
dbo:pubchem "9878"^^xsd:int;
dbo:smiles "CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O";
dbp:inchikey "FAOZLTXFLGPHNG-KNAQIMQKSA-N";
skos:broader csc:CHEMONTID_0001468;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fmtln";
skos:prefLabel "fluormetholon"@nl .
csc:XKXPBJBODVHDAW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:66538;
dbo:casNumber "84-68-4";
dbo:formula "C12H10Cl2N2";
dbo:inchi "InChI=1S/C12H10Cl2N2/c13-11-5-7(15)1-3-9(11)10-4-2-8(16)6-12(10)14/h1-6H,15-16H2";
dbo:iupacName "4-(4-amino-2-chlorophenyl)-3-chloroaniline"@en;
dbo:pubchem "66538"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1N)Cl)C2=C(C=C(C=C2)N)Cl";
dbp:inchikey "XKXPBJBODVHDAW-UHFFFAOYSA-N";
skos:altLabel "2,2’-dichloorbenzidine"@nl;
skos:broader csc:CHEMONTID_0003955;
skos:inScheme vlcs:chemische_stof;
skos:notation "22DClbzdne";
skos:prefLabel "2,2'-dichloorbenzidine"@nl .
csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:29863;
dbo:casNumber "19937-59-8";
dbo:formula "C10H13ClN2O2";
dbo:inchi "InChI=1S/C10H13ClN2O2/c1-13(2)10(14)12-7-4-5-9(15-3)8(11)6-7/h4-6H,1-3H3,(H,12,14)";
dbo:iupacName "3-(3-Chloro-4-methoxyphenyl)-1,1-dimethylurea"@en;
dbo:pubchem "29863"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC(=C(C=C1)OC)Cl";
dbp:inchikey "DSRNRYQBBJQVCW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:exactMatch wise:CAS_19937-59-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "metxrn";
skos:prefLabel "metoxuron"@nl .
csc:SVOAUHHKPGKPQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17169;
dbo:casNumber "2464-37-1";
dbo:formula "C14H9ClO3";
dbo:inchi "InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)";
dbo:iupacName "2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID"@en;
dbo:pubchem "17169"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C3=C(C2(C(=O)O)O)C=C(C=C3)Cl";
dbp:inchikey "SVOAUHHKPGKPQK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000020;
skos:inScheme vlcs:chemische_stof;
skos:notation "clfrnl";
skos:prefLabel "chloorflurenol"@nl .
csc:DSAJWYNOEDNPEQ-AKLPVKDBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6335490;
dbo:casNumber "14798-08-4";
dbo:formula "Ba";
dbo:inchi "InChI=1S/Ba/i1+3";
dbo:iupacName "barium-140"@en;
dbo:pubchem "6335490"^^xsd:int;
dbo:smiles "[Ba]";
dbp:inchikey "DSAJWYNOEDNPEQ-AKLPVKDBSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ba140";
skos:prefLabel "barium 140"@nl .
csc:WIFXJBMOTMKRMM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10140464;
dbo:casNumber "111872-58-3";
dbo:formula "C24H23BrF2O3";
dbo:inchi "InChI=1S/C24H23BrF2O3/c1-23(2,19-11-13-21(14-12-19)30-24(25,26)27)17-28-16-18-7-6-10-22(15-18)29-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3";
dbo:iupacName "1-(bromo-difluoromethoxy)-4-[2-methyl-1-[[3-(phenoxy)phenyl]methoxy]propan-2-yl]benzene"@en;
dbo:pubchem "10140464"^^xsd:int;
dbo:smiles "CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)OC(F)(F)Br";
dbp:inchikey "WIFXJBMOTMKRMM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "halepx";
skos:prefLabel "halfenprox"@nl .
csc:WSSSPWUEQFSQQG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:12724;
dbo:casNumber "44390-46-7" , "25068-26-2" , "691-37-2";
dbo:formula "C6H12";
dbo:inchi "InChI=1S/C6H12/c1-4-5-6(2)3/h4,6H,1,5H2,2-3H3";
dbo:iupacName "4-Methylpent-1-ene"@en;
dbo:pubchem "12724"^^xsd:int;
dbo:smiles "CC(C)CC=C";
dbp:inchikey "WSSSPWUEQFSQQG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004476;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1y1C5e";
skos:prefLabel "4-methyl-1-penteen"@nl .
csc:XJCVRTZCHMZPBD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7423;
dbo:casNumber "12262-63-4" , "99-09-2";
dbo:formula "C6H6N2O2";
dbo:inchi "InChI=1S/C6H6N2O2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H,7H2";
dbo:iupacName "3-Nitroaniline"@en;
dbo:pubchem "7423"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)[N+](=O)[O-])N";
dbp:inchikey "XJCVRTZCHMZPBD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "3NO2An";
skos:prefLabel "3-nitroaniline"@nl .
csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:379;
dbo:casNumber "124-07-2" , "18312-04-4" , "68937-74-6";
dbo:formula "C8H16O2";
dbo:inchi "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)";
dbo:iupacName "octanoic acid"@en;
dbo:pubchem "379"^^xsd:int;
dbo:smiles "CCCCCCCC(=O)O";
dbp:inchikey "WWZKQHOCKIZLMA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "C8azr";
skos:prefLabel "octaanzuur"@nl .
csc:FUVKFLJWBHVMHX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10958205;
dbo:casNumber "30334-69-1";
dbo:formula "C4H2F9NO2S";
dbo:inchi "InChI=1S/C4H2F9NO2S/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h(H2,14,15,16)";
dbo:iupacName "1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide"@en;
dbo:pubchem "10958205"^^xsd:int;
dbo:smiles "C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)(F)F";
dbp:inchikey "FUVKFLJWBHVMHX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003966;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFBSA";
skos:prefLabel "perfluorbutaansulfonamide"@nl .
csc:RRVIAQKBTUQODI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:29216;
dbo:casNumber "18691-97-9";
dbo:formula "C10H11N3OS";
dbo:inchi "InChI=1S/C10H11N3OS/c1-11-9(14)13(2)10-12-7-5-3-4-6-8(7)15-10/h3-6H,1-2H3,(H,11,14)";
dbo:iupacName "1-(1,3-benzothiazol-2-yl)-1,3-dimethylurea"@en;
dbo:pubchem "29216"^^xsd:int;
dbo:smiles "CNC(=O)N(C)C1=NC2=CC=CC=C2S1";
dbp:inchikey "RRVIAQKBTUQODI-UHFFFAOYSA-N";
skos:altLabel "methabenzthiazuron"@nl;
skos:broader csc:CHEMONTID_0000311;
skos:exactMatch wise:CAS_18691-97-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "metbtazrn";
skos:prefLabel "metabenzthiazuron"@nl .
csc:MQHNKCZKNAJROC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8559;
dbo:casNumber "131-16-8";
dbo:formula "C14H18O4";
dbo:inchi "InChI=1S/C14H18O4/c1-3-9-17-13(15)11-7-5-6-8-12(11)14(16)18-10-4-2/h5-8H,3-4,9-10H2,1-2H3";
dbo:iupacName "dipropyl benzene-1,2-dicarboxylate"@en;
dbo:pubchem "8559"^^xsd:int;
dbo:smiles "CCCOC(=O)C1=CC=CC=C1C(=O)OCCC";
dbp:inchikey "MQHNKCZKNAJROC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:exactMatch wise:CAS_131-16-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC3yFt";
skos:prefLabel "dipropylftalaat"@nl .
csc:PPKPKFIWDXDAGC-NSCUHMNNSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5366870;
dbo:casNumber "7069-38-7";
dbo:formula "C3H4Cl2";
dbo:inchi "InChI=1S/C3H4Cl2/c1-3(5)2-4/h2H,1H3/b3-2+";
dbo:iupacName "['1,2-dichloroprop-1-ene', '(E)-1,2-dichloroprop-1-ene']"@en;
dbo:pubchem "5366870"^^xsd:int;
dbo:smiles "CC(=CCl)Cl";
dbp:inchikey "PPKPKFIWDXDAGC-NSCUHMNNSA-N";
skos:broader csc:CHEMONTID_0002863;
skos:inScheme vlcs:chemische_stof;
skos:notation "t12DClC3e";
skos:prefLabel "trans-1,2-dichloorpropeen"@nl .
csc:XTAHLACQOVXINQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl;
rdfs:seeAlso compound:43495;
dbo:casNumber "60851-34-5";
dbo:formula "C12H2Cl6O";
dbo:inchi "InChI=1S/C12H2Cl6O/c13-5-1-3-4-2-6(14)8(16)10(18)12(4)19-11(3)9(17)7(5)15/h1-2H";
dbo:iupacName "2,3,4,6,7,8-HEXACHLORODIBENZOFURAN"@en;
dbo:pubchem "43495"^^xsd:int;
dbo:smiles "C1=C2C3=CC(=C(C(=C3OC2=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "XTAHLACQOVXINQ-UHFFFAOYSA-N";
skos:altLabel "2,3,4,6,7,8-hexachloordibenzofuraan"@nl , "2,3,4,6,7,8-hexachloordibenzofuraan (hxcdf)"@nl , "2,3,4,6,7,8-hexachloordibenzofuran"@nl;
skos:broader csc:CHEMONTID_0003029;
skos:exactMatch wise:CAS_60851-34-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF130";
skos:prefLabel " 2,3,4,6,7,8-hexachloordibenzofuraan"@nl .
csc:ILBWBNOBGCYGSU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6328651;
dbo:casNumber "1000-05-1";
dbo:formula "C8H24O3Si4";
dbo:inchi "InChI=1S/C8H24O3Si4/c1-12(2)9-14(5,6)11-15(7,8)10-13(3)4/h1-8H3";
dbo:iupacName "1,1,3,3,5,5,7,7-Octamethyltetrasiloxane"@en;
dbo:pubchem "6328651"^^xsd:int;
dbo:smiles "C[Si](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C";
dbp:inchikey "ILBWBNOBGCYGSU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004446;
skos:inScheme vlcs:chemische_stof;
skos:notation "OcC1yT4slxn";
skos:prefLabel "octamethyltetrasiloxaan"@nl .
csc:RRZXIRBKKLTSOM-XPNPUAGNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6434889;
dbo:casNumber "65195-55-3";
dbo:formula "C48H72O14";
dbo:inchi "InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1";
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one"@en;
dbo:pubchem "6434889"^^xsd:int;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C";
dbp:inchikey "RRZXIRBKKLTSOM-XPNPUAGNSA-N";
skos:altLabel "avermectin b1a"@nl;
skos:broader csc:CHEMONTID_0000147;
skos:inScheme vlcs:chemische_stof;
skos:notation "acmtnB1a";
skos:prefLabel "avermectin B1a"@nl .
csc:ADFXKUOMJKEIND-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:4277;
dbo:casNumber "2387-23-7";
dbo:formula "C13H24N2O";
dbo:inchi "InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)";
dbo:iupacName "1,3-Dicyclohexylurea"@en;
dbo:pubchem "4277"^^xsd:int;
dbo:smiles "C1CCC(CC1)NC(=O)NC2CCCCC2";
dbp:inchikey "7847";
skos:broader csc:CHEMONTID_0000517;
skos:inScheme vlcs:chemische_stof;
skos:notation "13DccC6yurum";
skos:prefLabel "1,3-dicyclohexylureum"@nl .
csc:BSBSDQUZDZXGFN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8293;
dbo:casNumber "115-93-5";
dbo:formula "C8H12NO5PS2";
dbo:inchi "InChI=1S/C8H12NO5PS2/c1-12-15(16,13-2)14-7-3-5-8(6-4-7)17(9,10)11/h3-6H,1-2H3,(H2,9,10,11)";
dbo:iupacName "4-dimethoxyphosphinothioyloxybenzenesulfonamide"@en;
dbo:pubchem "8293"^^xsd:int;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)S(=O)(=O)N";
dbp:inchikey "BSBSDQUZDZXGFN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "cytoat";
skos:prefLabel "cythioaat"@nl .
csc:GDSQRBLILFKERU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:61110;
dbo:casNumber "422-44-6";
dbo:formula "C3HCl2F5";
dbo:inchi "InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H";
dbo:iupacName "1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE"@en;
dbo:pubchem "61110"^^xsd:int;
dbo:smiles "C(C(C(F)(F)Cl)(F)Cl)(F)F";
dbp:inchikey "GDSQRBLILFKERU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCFK225bb";
skos:prefLabel "1,2-dichloor-1,1,2,3,3-pentafluorpropaan"@nl .
csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12018;
dbo:casNumber "82890-22-0" , "616-23-9";
dbo:formula "C3H6Cl2O";
dbo:inchi "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2";
dbo:iupacName "2,3-Dichloropropan-1-ol"@en;
dbo:pubchem "12018"^^xsd:int;
dbo:smiles "C(C(CCl)Cl)O";
dbp:inchikey "ZXCYIJGIGSDJQQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002608;
skos:inScheme vlcs:chemische_stof;
skos:notation "23DClC3ol";
skos:prefLabel "2,3-dichloorpropanol"@nl .
csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:98527;
dbo:casNumber "66142-81-2";
dbo:formula "C10H14BrNO2";
dbo:inchi "InChI=1S/C10H14BrNO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3";
dbo:iupacName "2-(4-bromo-2,5-dimethoxyphenyl)ethanamine"@en;
dbo:pubchem "98527"^^xsd:int;
dbo:smiles "COC1=CC(=C(C=C1CCN)OC)Br";
dbp:inchikey "YMHOBZXQZVXHBM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004111;
skos:inScheme vlcs:chemische_stof;
skos:notation "24Br25DC1oxF";
skos:prefLabel "2-(4-broom-2,5-dimethoxyfenyl) ethylamine"@nl .
csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso compound:50891;
dbo:casNumber "69782-90-7";
dbo:formula "C12H4Cl6";
dbo:inchi "InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H";
dbo:iupacName "1,2,3-trichloro-5-(2,3,4-trichlorophenyl)benzene"@en;
dbo:pubchem "50891"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "YTWXDQVNPCIEOX-UHFFFAOYSA-N";
skos:altLabel "2,3,3',4,4',5'-hexachloorbifenyl (pcb157)"@nl , "pcb 157"@nl , "PCB 157"@nl;
skos:broader csc:CHEMONTID_0003030;
skos:exactMatch wise:CAS_69782-90-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB157";
skos:prefLabel "2,3,3',4,4',5'-hexachloorbifenyl"@nl .
csc:BPMVRAQIQQEBLN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:2553;
dbo:casNumber "39310-25-3" , "6804-07-5";
dbo:formula "C11H10N4O4";
dbo:inchi "InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3";
dbo:iupacName "['methyl N-[(E)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate']"@en;
dbo:pubchem "2553"^^xsd:int;
dbo:smiles "COC(=O)N=NC=C1C=[N+](C2=CC=CC=C2N1O)[O-]";
dbp:inchikey "BPMVRAQIQQEBLN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000486;
skos:inScheme vlcs:chemische_stof;
skos:notation "carbdx";
skos:prefLabel "carbadox"@nl .
csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:40816;
dbo:casNumber "2314-09-2";
dbo:formula "C18H18O3";
dbo:inchi "InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3";
dbo:iupacName "Butyl 9-hydroxyfluorene-9-carboxylate"@en;
dbo:pubchem "40816"^^xsd:int;
dbo:smiles "CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O";
dbp:inchikey "PSGPXWYGJGGEEG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000020;
skos:inScheme vlcs:chemische_stof;
skos:notation "flurnC4y";
skos:prefLabel "flurenol-butyl"@nl .
csc:GHVNFZFCNZKVNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:2969;
dbo:casNumber "52627-73-3" , "334-48-5";
dbo:formula "C10H20O2";
dbo:inchi "InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)";
dbo:iupacName "Decanoic acid"@en;
dbo:pubchem "2969"^^xsd:int;
dbo:smiles "CCCCCCCCCC(=O)O";
dbp:inchikey "GHVNFZFCNZKVNT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "C10azr";
skos:prefLabel "decaanzuur"@nl .
csc:OZAIFHULBGXAKX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6547;
dbo:casNumber "34241-39-9" , "95210-41-6" , "67035-64-7" , "58449-80-2" , "78-67-1" , "80748-81-8" , "76012-28-7" , "39322-24-2";
dbo:formula "C8H12N4";
dbo:inchi "InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3";
dbo:iupacName "2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile"@en;
dbo:pubchem "6547"^^xsd:int;
dbo:smiles "CC(C)(C#N)N=NC(C)(C)C#N";
dbp:inchikey "OZAIFHULBGXAKX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000410;
skos:inScheme vlcs:chemische_stof;
skos:notation "22DC1y22aDpp";
skos:prefLabel "2,2'-dimethyl-2,2'-azodipropiononitril"@nl .
csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6023583;
dbo:casNumber "88283-41-4";
dbo:formula "C14H12Cl2N2O";
dbo:inchi "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-";
dbo:iupacName "1-(2,4-dichlorophenyl)-N-methoxy-2-pyridin-3-ylethanimine"@en;
dbo:pubchem "6023583"^^xsd:int;
dbo:smiles "CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl";
dbp:inchikey "CKPCAYZTYMHQEX-JXAWBTAJSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrfnx";
skos:prefLabel "pyrifenox"@nl .
csc:UJIGKESMIPTWJH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62353;
dbo:casNumber "507-55-1";
dbo:formula "C3HCl2F5";
dbo:inchi "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H";
dbo:iupacName "1,3-Dichloro-1,1,2,2,3-pentafluoropropane"@en;
dbo:pubchem "62353"^^xsd:int;
dbo:smiles "C(C(C(F)(F)Cl)(F)F)(F)Cl";
dbp:inchikey "UJIGKESMIPTWJH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001517;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCFK225cb";
skos:prefLabel "1,3-dichloor-1,1,2,2,3-pentafluorpropaan"@nl .
csc:LOCWBQIWHWIRGN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8492;
dbo:casNumber "121-87-9";
dbo:formula "C6H5ClN2O2";
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2";
dbo:iupacName "2-Chloro-4-nitroaniline"@en;
dbo:pubchem "8492"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])Cl)N";
dbp:inchikey "LOCWBQIWHWIRGN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl4NO2An";
skos:prefLabel "2-chloor-4-nitroaniline"@nl .
csc:CRVGTESFCCXCTH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7767;
dbo:casNumber "105-59-9" , "511262-76-3";
dbo:formula "C5H13NO2";
dbo:inchi "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3";
dbo:iupacName "2-(2-hydroxyethyl-methylamino)ethanol"@en;
dbo:pubchem "7767"^^xsd:int;
dbo:smiles "CN(CCO)CCO";
dbp:inchikey "CRVGTESFCCXCTH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001897;
skos:inScheme vlcs:chemische_stof;
skos:notation "22C1yimnDC2o";
skos:prefLabel "2,2'-methyliminodiethanol"@nl .
csc:MNWFXJYAOYHMED-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8094;
dbo:casNumber "111-14-8";
dbo:formula "C7H14O2";
dbo:inchi "InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)";
dbo:iupacName "Heptanoic acid"@en;
dbo:pubchem "8094"^^xsd:int;
dbo:smiles "CCCCCCC(=O)O";
dbp:inchikey "MNWFXJYAOYHMED-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "C7azr";
skos:prefLabel "heptaanzuur"@nl .
csc:ALDJIKXAHSDLLB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:38875;
dbo:casNumber "70362-46-8" , "41464-39-5";
dbo:formula "C12H6Cl4";
dbo:inchi "InChI=1S/C12H6Cl4/c13-7-4-5-10(14)9(6-7)8-2-1-3-11(15)12(8)16/h1-6H";
dbo:iupacName "1,2-dichloro-3-(2,5-dichlorophenyl)benzene"@en;
dbo:pubchem "38875"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl";
dbp:inchikey "ALDJIKXAHSDLLB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB44";
skos:prefLabel "2,2',3,5'-tetrachloorbifenyl"@nl .
csc:XTEGARKTQYYJKE-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:104770;
dbo:casNumber "13932-10-0" , "14866-68-3";
dbo:formula "ClO3-";
dbo:inchi "InChI=1S/ClHO3/c2-1(3)4/h(H,2,3,4)/p-1";
dbo:iupacName "Chlorate"@en;
dbo:pubchem "104770"^^xsd:int;
dbo:smiles "[O-]Cl(=O)=O";
dbp:inchikey "XTEGARKTQYYJKE-UHFFFAOYSA-M";
skos:altLabel "chloortrioxide"@nl;
skos:broader csc:CHEMONTID_0001049;
skos:exactMatch wise:CAS_14866-68-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClTO" , "ClO3";
skos:prefLabel "chloraat"@nl .
csc:ZBMRKNMTMPPMMK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:53597;
dbo:casNumber "51276-47-2" , "77182-82-2" , "118336-14-4" , "106917-54-8" , "82785-28-2";
dbo:formula "C5H15N2O4P";
dbo:inchi "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3";
dbo:iupacName "azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate"@en;
dbo:pubchem "53597"^^xsd:int;
dbo:smiles "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]";
dbp:inchikey "ZBMRKNMTMPPMMK-UHFFFAOYSA-N";
skos:altLabel "glufosinaat-ammonium"@nl;
skos:broader csc:CHEMONTID_0002404;
skos:inScheme vlcs:chemische_stof;
skos:notation "glufsnt" , "glufsntNH4";
skos:prefLabel "glufosinaat"@nl .
csc:HEMHJVSKTPXQMS-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:14798;
dbo:casNumber "8012-01-9" , "1310-73-2";
dbo:formula "HNaO";
dbo:inchi "InChI=1S/Na.H2O/h;1H2/q+1;/p-1";
dbo:iupacName "SODIUM HYDROXIDE"@en;
dbo:pubchem "14798"^^xsd:int;
dbo:smiles "[OH-].[Na+]";
dbp:inchikey "HEMHJVSKTPXQMS-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0001270;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaOH";
skos:prefLabel "natriumhydroxide"@nl .
csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:14410;
dbo:casNumber "1163-19-5" , "109945-70-2" , "145538-74-5";
dbo:formula "C12Br10O";
dbo:inchi "InChI=1S/C12Br10O/c13-1-3(15)7(19)11(8(20)4(1)16)23-12-9(21)5(17)2(14)6(18)10(12)22";
dbo:iupacName "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene"@en;
dbo:pubchem "14410"^^xsd:int;
dbo:smiles "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br";
dbp:inchikey "WHHGLZMJPXIBIX-UHFFFAOYSA-N";
skos:altLabel "decabroomdifenylether (bde209)"@nl , "bde 209"@nl;
skos:broader csc:CHEMONTID_0001845;
skos:exactMatch wise:CAS_1163-19-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "PBDE209";
skos:prefLabel "2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether"@nl .
csc:DCTOHCCUXLBQMS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13190;
dbo:casNumber "10-01-5" , "821-95-4" , "68526-57-8";
dbo:formula "C11H22";
dbo:inchi "InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3";
dbo:iupacName "undec-1-ene"@en;
dbo:pubchem "13190"^^xsd:int;
dbo:smiles "CCCCCCCCCC=C";
dbp:inchikey "DCTOHCCUXLBQMS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004476;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C11e";
skos:prefLabel "1-undeceen"@nl .
csc:TWIMUEGVLWNOMO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:168665;
dbo:casNumber "27177-01-1";
dbo:formula "C27H48O7";
dbo:inchi "InChI=1S/C27H48O7/c1-2-3-4-5-6-7-8-11-26-12-9-10-13-27(26)34-25-24-33-23-22-32-21-20-31-19-18-30-17-16-29-15-14-28/h9-10,12-13,28H,2-8,11,14-25H2,1H3";
dbo:iupacName "2-[2-[2-[2-[2-[2-(2-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol"@en;
dbo:pubchem "168665"^^xsd:int;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1OCCOCCOCCOCCOCCOCCO";
dbp:inchikey "TWIMUEGVLWNOMO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003338;
skos:inScheme vlcs:chemische_stof;
skos:notation "NPEO6";
skos:prefLabel "nonylfenolhexaethoxylaat"@nl .
csc:OYTJKRAYGYRUJK-FMCCZJBLSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:441351;
dbo:casNumber "119302-91-9";
dbo:formula "C32H53BrN2O4";
dbo:inchi "InChI=1S/C32H53N2O4.BrH/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35;/h5,23-30,36H,1,6-21H2,2-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1";
dbo:iupacName "[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide"@en;
dbo:pubchem "441351"^^xsd:int;
dbo:smiles "CC(=O)OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-]";
dbp:inchikey "OYTJKRAYGYRUJK-FMCCZJBLSA-M";
skos:broader csc:CHEMONTID_0001691;
skos:inScheme vlcs:chemische_stof;
skos:notation "rocrnBr";
skos:prefLabel "rocuronium bromide"@nl .
csc:VAHKBZSAUKPEOV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:27960;
dbo:casNumber "63439-93-0" , "16606-02-3";
dbo:formula "C12H7Cl3";
dbo:inchi "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H";
dbo:iupacName "1,4-dichloro-2-(4-chlorophenyl)benzene"@en;
dbo:pubchem "27960"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=C(C=CC(=C2)Cl)Cl)Cl";
dbp:inchikey "VAHKBZSAUKPEOV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB31";
skos:prefLabel "2,4',5-trichloorbifenyl"@nl .
csc:UHXUZOCRWCRNSJ-QPJJXVBHSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5353758;
dbo:casNumber "19928-35-9" , "16752-77-5";
dbo:formula "C5H10N2O2S";
dbo:inchi "InChI=1S/C5H10N2O2S/c1-4(10-3)7-9-5(8)6-2/h1-3H3,(H,6,8)/b7-4+";
dbo:iupacName "(1-methylsulfanylethylideneamino) N-methylcarbamate"@en;
dbo:pubchem "5353758"^^xsd:int;
dbo:smiles "CC(=NOC(=O)NC)SC";
dbp:inchikey "UHXUZOCRWCRNSJ-QPJJXVBHSA-N";
skos:broader csc:CHEMONTID_0002285;
skos:inScheme vlcs:chemische_stof;
skos:notation "metml";
skos:prefLabel "methomyl"@nl .
csc:LEQAOMBKQFMDFZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7860;
dbo:casNumber "9005-91-8" , "83513-30-8" , "107-22-2" , "40094-65-3";
dbo:formula "C2H2O2";
dbo:inchi "InChI=1S/C2H2O2/c3-1-2-4/h1-2H";
dbo:iupacName "oxaldehyde"@en;
dbo:pubchem "7860"^^xsd:int;
dbo:smiles "C(=O)C=O";
dbp:inchikey "LEQAOMBKQFMDFZ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002230;
skos:inScheme vlcs:chemische_stof;
skos:notation "glyoxl";
skos:prefLabel "glyoxaal"@nl .
csc:VOTXWUCYIOPNNR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:69855;
dbo:casNumber "769-11-9";
dbo:formula "C6H5ClN2O2";
dbo:inchi "InChI=1S/C6H5ClN2O2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H,8H2";
dbo:iupacName "2-Chloro-6-nitroaniline"@en;
dbo:pubchem "69855"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-]";
dbp:inchikey "VOTXWUCYIOPNNR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Cl6NO2An";
skos:prefLabel "2-chloor-6-nitroaniline"@nl .
csc:VDBHOHJWUDKDRW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:47167;
dbo:casNumber "64058-43-1" , "55599-08-1" , "15323-35-0";
dbo:formula "C17H24O";
dbo:inchi "InChI=1S/C17H24O/c1-10-8-14-15(9-13(10)11(2)18)17(6,7)12(3)16(14,4)5/h8-9,12H,1-7H3";
dbo:iupacName "1-(1,1,2,3,3,6-hexamethyl-2H-inden-5-yl)ethanone"@en;
dbo:pubchem "47167"^^xsd:int;
dbo:smiles "CC1C(C2=C(C1(C)C)C=C(C(=C2)C)C(=O)C)(C)C";
dbp:inchikey "VDBHOHJWUDKDRW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000027;
skos:inScheme vlcs:chemische_stof;
skos:notation "AHMI";
skos:prefLabel "5-acetyl-1,1,2,3,3,6-hexamethylindaan"@nl .
csc:XGZVUEUWXADBQD-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:11125;
dbo:casNumber "216964-61-3" , "554-13-2" , "12767-19-0" , "10377-37-4";
dbo:formula "CLi2O3";
dbo:inchi "InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2";
dbo:iupacName "Dilithium carbonate"@en;
dbo:pubchem "11125"^^xsd:int;
dbo:smiles "[Li+].[Li+].C(=O)([O-])[O-]";
dbp:inchikey "XGZVUEUWXADBQD-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001521;
skos:inScheme vlcs:chemische_stof;
skos:notation "LiCO3";
skos:prefLabel "lithium carbonaat"@nl .
csc:YIWUKEYIRIRTPP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7720;
dbo:casNumber "104-76-7" , "704-76-7" , "111675-57-1";
dbo:formula "C8H18O";
dbo:inchi "InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3";
dbo:iupacName "2-Ethylhexan-1-ol"@en;
dbo:pubchem "7720"^^xsd:int;
dbo:smiles "CCCCC(CC)CO";
dbp:inchikey "YIWUKEYIRIRTPP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001334;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C2y1C6ol";
skos:prefLabel "2-ethyl-1-hexanol"@nl .
csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)"@nl , "VLAR II bijl. 2.5.2 'thallium'"@nl , "VLAR III (D3, diverse art) 'Tl'"@nl , "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'"@nl , "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'"@nl;
rdfs:seeAlso compound:5359464;
dbo:casNumber "7440-28-0" , "113835-49-7" , "82870-81-3";
dbo:formula "Tl";
dbo:inchi "InChI=1S/Tl";
dbo:iupacName "THALLIUM"@en;
dbo:pubchem "5359464"^^xsd:int;
dbo:smiles "[Tl]";
dbp:inchikey "BKVIYDNLLOSFOA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000427;
skos:definition "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)"@nl;
skos:exactMatch wise:CAS_7440-28-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tl";
skos:prefLabel "thallium"@nl .
csc:KKCBUQHMOMHUOY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:73971;
dbo:casNumber "1313-59-3" , "37382-45-9";
dbo:formula "Na2O";
dbo:inchi "InChI=1S/2Na.O/q2*+1;-2";
dbo:iupacName "disodium oxygen(-2) anion"@en;
dbo:pubchem "73971"^^xsd:int;
dbo:smiles "[O-2].[Na+].[Na+]";
dbp:inchikey "KKCBUQHMOMHUOY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000526;
skos:inScheme vlcs:chemische_stof;
skos:notation "Na2O";
skos:prefLabel "dinatriumoxide"@nl .
csc:BFKJFAAPBSQJPD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8301;
dbo:casNumber "116-14-3" , "9014-83-9";
dbo:formula "C2F4";
dbo:inchi "InChI=1S/C2F4/c3-1(4)2(5)6";
dbo:iupacName "1,1,2,2-tetrafluoroethene"@en;
dbo:pubchem "8301"^^xsd:int;
dbo:smiles "C(=C(F)F)(F)F";
dbp:inchikey "BFKJFAAPBSQJPD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002861;
skos:inScheme vlcs:chemische_stof;
skos:notation "T4FC2e";
skos:prefLabel "tetrafluoretheen"@nl .
csc:QGBSISYHAICWAH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10005;
dbo:casNumber "139351-78-3" , "125148-58-5" , "157480-33-6" , "461-58-5" , "139351-77-2";
dbo:formula "C2H4N4";
dbo:inchi "InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)";
dbo:iupacName "2-Cyanoguanidine"@en;
dbo:pubchem "10005"^^xsd:int;
dbo:smiles "C(#N)N=C(N)N";
dbp:inchikey "QGBSISYHAICWAH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000375;
skos:inScheme vlcs:chemische_stof;
skos:notation "CNgandne";
skos:prefLabel "cyaanguanidine"@nl .
csc:VACCAVUAMIDAGB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5328;
dbo:casNumber "144-82-1";
dbo:formula "C9H10N4O2S2";
dbo:inchi "InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)";
dbo:iupacName "4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide"@en;
dbo:pubchem "5328"^^xsd:int;
dbo:smiles "CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N";
dbp:inchikey "VACCAVUAMIDAGB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001925;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulfmtzl";
skos:prefLabel "sulfamethizol"@nl .
csc:OIRFJRBSRORBCM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:3735;
dbo:casNumber "96-83-3";
dbo:formula "C11H12I3NO2";
dbo:inchi "InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)";
dbo:iupacName "2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid"@en;
dbo:pubchem "3735"^^xsd:int;
dbo:smiles "CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)O";
dbp:inchikey "OIRFJRBSRORBCM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002551;
skos:inScheme vlcs:chemische_stof;
skos:notation "jopninzr";
skos:prefLabel "jopanoïnezuur"@nl .
csc:SHKUUQIDMUMQQK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:17046;
dbo:casNumber "139074-76-3" , "54350-59-3" , "83138-98-1" , "152618-32-1" , "134498-52-5" , "2425-79-8" , "29611-97-0" , "162786-24-5";
dbo:formula "C10H18O4";
dbo:inchi "InChI=1S/C10H18O4/c1(3-11-5-9-7-13-9)2-4-12-6-10-8-14-10/h9-10H,1-8H2";
dbo:iupacName "2-[4-(oxiran-2-ylmethoxy)butoxymethyl]oxirane"@en;
dbo:pubchem "17046"^^xsd:int;
dbo:smiles "C1C(O1)COCCCCOCC2CO2";
dbp:inchikey "SHKUUQIDMUMQQK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000159;
skos:inScheme vlcs:chemische_stof;
skos:notation "14C4aDoDgcdE";
skos:prefLabel "1,4-butaandioldiglycidylether"@nl .
csc:GEHJBWKLJVFKPS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:542762;
dbo:casNumber "5589-96-8";
dbo:formula "C2H2BrClO2";
dbo:inchi "InChI=1S/C2H2BrClO2/c3-1(4)2(5)6/h1H,(H,5,6)";
dbo:iupacName "2-bromo-2-chloroacetic acid"@en;
dbo:pubchem "542762"^^xsd:int;
dbo:smiles "C(C(=O)O)(Cl)Br";
dbp:inchikey "GEHJBWKLJVFKPS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003000;
skos:inScheme vlcs:chemische_stof;
skos:notation "BrClHAc";
skos:prefLabel "broomchloorazijnzuur"@nl .
csc:PQSUYGKTWSAVDQ-ZVIOFETBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5839;
dbo:casNumber "10328-70-8" , "152-04-5" , "52-39-1";
dbo:formula "C21H28O5";
dbo:inchi "InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1";
dbo:iupacName "(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde"@en;
dbo:pubchem "5839"^^xsd:int;
dbo:smiles "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C=O)O";
dbp:inchikey "PQSUYGKTWSAVDQ-ZVIOFETBSA-N";
skos:broader csc:CHEMONTID_0003095;
skos:inScheme vlcs:chemische_stof;
skos:notation "aldtrn";
skos:prefLabel "aldosteron"@nl .
csc:OKBVVJOGVLARMR-QSWIMTSFSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5362065;
dbo:casNumber "79350-37-1";
dbo:formula "C16H15N5O7S2";
dbo:inchi "InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1";
dbo:iupacName "(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid"@en;
dbo:pubchem "5362065"^^xsd:int;
dbo:smiles "C=CC1=C(N2C(C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)SC1)C(=O)O";
dbp:inchikey "OKBVVJOGVLARMR-QSWIMTSFSA-N";
skos:broader csc:CHEMONTID_0000173;
skos:inScheme vlcs:chemische_stof;
skos:notation "cefxm";
skos:prefLabel "cefixim"@nl .
csc:VLJXXKKOSFGPHI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:11507;
dbo:casNumber "589-34-4" , "116502-45-5";
dbo:formula "C7H16";
dbo:inchi "InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3";
dbo:iupacName "3-Methylhexane"@en;
dbo:pubchem "11507"^^xsd:int;
dbo:smiles "CCCC(C)CC";
dbp:inchikey "VLJXXKKOSFGPHI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C1yC6a";
skos:prefLabel "3-methylhexaan"@nl .
csc:HMBBJSKXDBUNNT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:42948;
dbo:casNumber "59080-40-9" , "67774-32-7";
dbo:formula "C12H4Br6";
dbo:inchi "InChI=1S/C12H4Br6/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-tribromo-5-(2,4,5-tribromophenyl)benzene"@en;
dbo:pubchem "42948"^^xsd:int;
dbo:smiles "C1=C(C(=CC(=C1Br)Br)Br)C2=CC(=C(C=C2Br)Br)Br";
dbp:inchikey "HMBBJSKXDBUNNT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003954;
skos:inScheme vlcs:chemische_stof;
skos:notation "PBB153";
skos:prefLabel "2,2',4,4',5,5'-hexabroombifenyl"@nl .
csc:XTRDKALNCIHHNI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11813;
dbo:casNumber "606-20-2";
dbo:formula "C7H6N2O4";
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3";
dbo:iupacName "2-Methyl-1,3-dinitrobenzene"@en;
dbo:pubchem "11813"^^xsd:int;
dbo:smiles "CC1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "XTRDKALNCIHHNI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003969;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DNO2Tol";
skos:prefLabel "2,6-dinitrotolueen"@nl .
csc:CWYZDPHNAGSFQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:88399;
dbo:casNumber "20193-21-9";
dbo:formula "C7H17N";
dbo:inchi "InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3";
dbo:iupacName "N-propylbutan-1-amine"@en;
dbo:pubchem "88399"^^xsd:int;
dbo:smiles "CCCCNCCC";
dbp:inchikey "CWYZDPHNAGSFQB-UHFFFAOYSA-N";
skos:altLabel "N-propyl-1-butaanamine"@nl;
skos:broader csc:CHEMONTID_0002228;
skos:inScheme vlcs:chemische_stof;
skos:notation "NC3y1C4aAe";
skos:prefLabel "n-propyl-1-butaanamine"@nl .
csc:XOIQMTLWECTKJL-PDHYURILSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5484043;
dbo:casNumber "17090-79-8" , "22136-43-2";
dbo:formula "C36H61NaO11";
dbo:inchi "InChI=1S/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1/t19-,20+,21+,22+,23+,24+,25-,26-,27+,28-,29-,30-,31-,33+,34-,35+,36-;/m0./s1";
dbo:iupacName "sodium (2R,3S,4R)-4-[(2R,5R,7S,8R,9S)-2-[(2R,5S)-5-ethyl-5-[(2S,3R,5S)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]decan-7-yl]-3-methoxy-2-methylpentanoate"@en;
dbo:pubchem "5484043"^^xsd:int;
dbo:smiles "CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)[O-])OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C.[Na+]";
dbp:inchikey "XOIQMTLWECTKJL-PDHYURILSA-M";
skos:broader csc:CHEMONTID_0004472;
skos:inScheme vlcs:chemische_stof;
skos:notation "monsn";
skos:prefLabel "monensin"@nl .
csc:WLJVXDMOQOGPHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:999;
dbo:casNumber "51146-16-8" , "103-82-2";
dbo:formula "C8H8O2";
dbo:inchi "InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)";
dbo:iupacName "2-Phenylacetic acid"@en;
dbo:pubchem "999"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)CC(=O)O";
dbp:inchikey "WLJVXDMOQOGPHL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "BenHAc";
skos:prefLabel "benzeenazijnzuur"@nl .
csc:HAPOVYFOVVWLRS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3291;
dbo:casNumber "77-67-8";
dbo:formula "C7H11NO2";
dbo:inchi "InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)";
dbo:iupacName "3-Ethyl-3-methylpyrrolidine-2,5-dione"@en;
dbo:pubchem "3291"^^xsd:int;
dbo:smiles "CCC1(CC(=O)NC1=O)C";
dbp:inchikey "HAPOVYFOVVWLRS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003031;
skos:inScheme vlcs:chemische_stof;
skos:notation "etsimde";
skos:prefLabel "ethosuximide"@nl .
csc:ZSLUVFAKFWKJRC-OIOBTWANSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:167312;
dbo:casNumber "15594-54-4";
dbo:formula "Th";
dbo:inchi "InChI=1S/Th/i1-3";
dbo:iupacName "thorium-229"@en;
dbo:pubchem "167312"^^xsd:int;
dbo:smiles "[Th]";
dbp:inchikey "ZSLUVFAKFWKJRC-OIOBTWANSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Th229";
skos:prefLabel "thorium 229"@nl .
csc:FWXSAXJNSVIOLZ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62039;
dbo:casNumber "53404-37-8";
dbo:formula "C16H22Cl2O3";
dbo:inchi "InChI=1S/C16H22Cl2O3/c1-4-12(7-11(2)3)9-21-16(19)10-20-15-6-5-13(17)8-14(15)18/h5-6,8,11-12H,4,7,9-10H2,1-3H3";
dbo:iupacName "(2-ethyl-4-methylpentyl) 2-(2,4-dichlorophenoxy)acetate"@en;
dbo:pubchem "62039"^^xsd:int;
dbo:smiles "CCC(CC(C)C)COC(=O)COC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "FWXSAXJNSVIOLZ-UHFFFAOYSA-N";
skos:altLabel "2,4-D 2-ethyl-4-methylpentyl ester"@nl;
skos:broader csc:CHEMONTID_0000417;
skos:inScheme vlcs:chemische_stof;
skos:notation "24D2C2y4C1yC";
skos:prefLabel "2,4-d 2-ethyl-4-methylpentyl ester"@nl .
csc:BODRLKRKPXBDBN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:18938;
dbo:casNumber "140237-16-7" , "3452-97-9" , "201404-81-1";
dbo:formula "C9H20O";
dbo:inchi "InChI=1S/C9H20O/c1-8(5-6-10)7-9(2,3)4/h8,10H,5-7H2,1-4H3";
dbo:iupacName "3,5,5-Trimethylhexan-1-ol"@en;
dbo:pubchem "18938"^^xsd:int;
dbo:smiles "CC(CCO)CC(C)(C)C";
dbp:inchikey "BODRLKRKPXBDBN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001334;
skos:inScheme vlcs:chemische_stof;
skos:notation "355TC1y1C6ol";
skos:prefLabel "3,5,5-trimethyl-1-hexanol"@nl .
csc:WQEPLUUGTLDZJY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:13849;
dbo:casNumber "1002-84-2";
dbo:formula "C15H30O2";
dbo:inchi "InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)";
dbo:iupacName "Pentadecanoic acid"@en;
dbo:pubchem "13849"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCC(=O)O";
dbp:inchikey "WQEPLUUGTLDZJY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "C15azr";
skos:prefLabel "pentadecaanzuur"@nl .
csc:XUGNVMKQXJXZCD-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8907;
dbo:casNumber "142-91-6";
dbo:formula "C19H38O2";
dbo:inchi "InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3";
dbo:iupacName "propan-2-yl hexadecanoate"@en;
dbo:pubchem "8907"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCC(=O)OC(C)C";
dbp:inchikey "XUGNVMKQXJXZCD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000324;
skos:inScheme vlcs:chemische_stof;
skos:notation "iC3ypmtt";
skos:prefLabel "isopropylpalmitaat"@nl .
csc:WBNQDOYYEUMPFS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5921;
dbo:casNumber "55-18-5";
dbo:formula "C4H10N2O";
dbo:inchi "InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3";
dbo:iupacName "N,N-diethylnitrous amide"@en;
dbo:pubchem "5921"^^xsd:int;
dbo:smiles "CCN(CC)N=O";
dbp:inchikey "WBNQDOYYEUMPFS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004777;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC2yNOAe";
skos:prefLabel "diethylnitrosamine"@nl .
csc:OYPRJOBELJOOCE-RKEGKUSMSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6335803;
dbo:casNumber "14391-99-2";
dbo:formula "Ca";
dbo:inchi "InChI=1S/Ca/i1+7";
dbo:iupacName "calcium-47"@en;
dbo:pubchem "6335803"^^xsd:int;
dbo:smiles "[Ca]";
dbp:inchikey "OYPRJOBELJOOCE-RKEGKUSMSA-N";
skos:broader csc:CHEMONTID_0000428;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ca47";
skos:prefLabel "calcium 47"@nl .
csc:OIJHFHYPXWSVPF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9074;
dbo:casNumber "156-10-5";
dbo:formula "C12H10N2O";
dbo:inchi "InChI=1S/C12H10N2O/c15-14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H";
dbo:iupacName "4-Nitroso-N-phenylaniline"@en;
dbo:pubchem "9074"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)NC2=CC=C(C=C2)N=O";
dbp:inchikey "OIJHFHYPXWSVPF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "4NO2sDFyAe";
skos:prefLabel "4-nitrosodifenylamine"@nl .
csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:4171;
dbo:casNumber "37350-58-6" , "51384-51-1" , "54163-88-1";
dbo:formula "C15H25NO3";
dbo:inchi "InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3";
dbo:iupacName "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol"@en;
dbo:pubchem "4171"^^xsd:int;
dbo:smiles "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O";
dbp:inchikey "IUBSYMUCCVWXPE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000139;
skos:exactMatch wise:CAS_37350-58-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "metpll";
skos:prefLabel "metoprolol"@nl .
csc:BBXXLROWFHWFQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:32152;
dbo:casNumber "23947-60-6";
dbo:formula "C11H19N3O";
dbo:inchi "InChI=1S/C11H19N3O/c1-4-6-7-9-8(3)13-11(12-5-2)14-10(9)15/h4-7H2,1-3H3,(H2,12,13,14,15)";
dbo:iupacName "5-butyl-2-ethylamino-6-methyl-1H-pyrimidin-4-one"@en;
dbo:pubchem "32152"^^xsd:int;
dbo:smiles "CCCCC1=C(NC(=NC1=O)NCC)C";
dbp:inchikey "BBXXLROWFHWFQY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004161;
skos:inScheme vlcs:chemische_stof;
skos:notation "etrml";
skos:prefLabel "ethirimol"@nl .
csc:HSUIVCLOAAJSRE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8344;
dbo:casNumber "117-82-8";
dbo:formula "C14H18O6";
dbo:inchi "InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3";
dbo:iupacName "bis(2-methoxyethyl) benzene-1,2-dicarboxylate"@en;
dbo:pubchem "8344"^^xsd:int;
dbo:smiles "COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC";
dbp:inchikey "HSUIVCLOAAJSRE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "D2C1oxC2yFt";
skos:prefLabel "di-(2-methoxyethyl)ftalaat"@nl .
csc:PWATWSYOIIXYMA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:10864;
dbo:casNumber "27458-20-4" , "74296-33-6" , "538-68-1";
dbo:formula "C11H16";
dbo:inchi "InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3";
dbo:iupacName "Pentylbenzene"@en;
dbo:pubchem "10864"^^xsd:int;
dbo:smiles "CCCCCC1=CC=CC=C1";
dbp:inchikey "PWATWSYOIIXYMA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "C5yBen";
skos:prefLabel "pentylbenzeen"@nl .
csc:JXTPJDDICSTXJX-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12535;
dbo:casNumber "638-68-6";
dbo:formula "C30H62";
dbo:inchi "InChI=1S/C30H62/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3";
dbo:iupacName "TRIACONTANE"@en;
dbo:pubchem "12535"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC";
dbp:inchikey "JXTPJDDICSTXJX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C30a";
skos:prefLabel "triacontaan"@nl .
csc:XMGQYMWWDOXHJM-SNVBAGLBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:439250;
dbo:casNumber "5989-54-8";
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/t10-/m1/s1";
dbo:iupacName "(4S)-1-methyl-4-prop-1-en-2-ylcyclohexene"@en;
dbo:pubchem "439250"^^xsd:int;
dbo:smiles "CC1=CCC(CC1)C(=C)C";
dbp:inchikey "XMGQYMWWDOXHJM-SNVBAGLBSA-N";
skos:altLabel "1-methyl-4-(1-methylethenyl)-,(S)-cyclohexeen"@nl;
skos:broader csc:CHEMONTID_0001401;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1y41C1yetn";
skos:prefLabel "1-methyl-4-(1-methylethenyl)-,(s)-cyclohexeen"@nl .
csc:VUMCUSHVMYIRMB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12860;
dbo:casNumber "27322-34-5" , "717-74-8";
dbo:formula "C15H24";
dbo:inchi "InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3";
dbo:iupacName "1,3,5-tri(propan-2-yl)benzene"@en;
dbo:pubchem "12860"^^xsd:int;
dbo:smiles "CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C";
dbp:inchikey "VUMCUSHVMYIRMB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000355;
skos:inScheme vlcs:chemische_stof;
skos:notation "135TiC3yBen";
skos:prefLabel "1,3,5-triisopropylbenzeen"@nl .
csc:CNFMJLVJDNGPHR-UKTHLTGXSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6437842;
dbo:casNumber "76608-88-3";
dbo:formula "C15H25N3O";
dbo:inchi "InChI=1S/C15H25N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h9-12,14,19H,4-8H2,1-3H3/b13-9+";
dbo:iupacName "['1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-cyclohexyl-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol']"@en;
dbo:pubchem "6437842"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(=CC1CCCCC1)N2C=NC=N2)O";
dbp:inchikey "CNFMJLVJDNGPHR-UKTHLTGXSA-N";
skos:broader csc:CHEMONTID_0000099;
skos:inScheme vlcs:chemische_stof;
skos:notation "Taptnl";
skos:prefLabel "triapentenol"@nl .
csc:HOPRIFATEWRIEO-YSKRITFZSA-J
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:9570116;
dbo:casNumber "2602-46-2" , "116675-43-5" , "179472-56-1";
dbo:formula "C32H20N6Na4O14S4";
dbo:inchi "InChI=1S/C32H24N6O14S4.4Na/c33-23-13-21(53(41,42)43)9-17-11-25(55(47,48)49)29(31(39)27(17)23)37-35-19-5-1-15(2-6-19)16-3-7-20(8-4-16)36-38-30-26(56(50,51)52)12-18-10-22(54(44,45)46)14-24(34)28(18)32(30)40;;;;/h1-14,35-36H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;/q;4*+1/p-4/b37-29+,38-30+;;;;";
dbo:iupacName "tetrasodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(8-amino-1-oxo-3,6-disulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate"@en;
dbo:pubchem "9570116"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])NN=C5C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]";
dbp:inchikey "HOPRIFATEWRIEO-YSKRITFZSA-J";
skos:altLabel "C.I. Direct Blue 6"@nl;
skos:broader csc:CHEMONTID_0000041;
skos:inScheme vlcs:chemische_stof;
skos:notation "cidbe6";
skos:prefLabel "c.i. direct blue 6"@nl .
csc:CJHXCRMKMMBYJQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:21290;
dbo:casNumber "5221-53-4";
dbo:formula "C11H19N3O";
dbo:inchi "InChI=1S/C11H19N3O/c1-5-6-7-9-8(2)12-11(14(3)4)13-10(9)15/h5-7H2,1-4H3,(H,12,13,15)";
dbo:iupacName "5-butyl-2-dimethylamino-6-methyl-1H-pyrimidin-4-one"@en;
dbo:pubchem "21290"^^xsd:int;
dbo:smiles "CCCCC1=C(NC(=NC1=O)N(C)C)C";
dbp:inchikey "CJHXCRMKMMBYJQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003901;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dmtrml";
skos:prefLabel "dimethirimol"@nl .
csc:GGSUCNLOZRCGPQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7061;
dbo:casNumber "91-66-7";
dbo:formula "C10H15N";
dbo:inchi "InChI=1S/C10H15N/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3";
dbo:iupacName "N,N-Diethylaniline"@en;
dbo:pubchem "7061"^^xsd:int;
dbo:smiles "CCN(CC)C1=CC=CC=C1";
dbp:inchikey "GGSUCNLOZRCGPQ-UHFFFAOYSA-N";
skos:altLabel "n,n-diethylaniline"@nl;
skos:broader csc:CHEMONTID_0003901;
skos:inScheme vlcs:chemische_stof;
skos:notation "NNDC2yAn";
skos:prefLabel "N,N-diethylaniline"@nl .
csc:QHPQWRBYOIRBIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7393;
dbo:casNumber "98-54-4";
dbo:formula "C10H14O";
dbo:inchi "InChI=1S/C10H14O/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3";
dbo:iupacName "4-tert-Butylphenol"@en;
dbo:pubchem "7393"^^xsd:int;
dbo:smiles "CC(C)(C)C1=CC=C(C=C1)O";
dbp:inchikey "QHPQWRBYOIRBIT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002811;
skos:inScheme vlcs:chemische_stof;
skos:notation "4ttC4yFol";
skos:prefLabel "4-tertiair-butylfenol"@nl .
csc:UAOMVDZJSHZZME-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7912;
dbo:casNumber "108-18-9";
dbo:formula "C6H15N";
dbo:inchi "InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3";
dbo:iupacName "N-propan-2-ylpropan-2-amine"@en;
dbo:pubchem "7912"^^xsd:int;
dbo:smiles "CC(C)NC(C)C";
dbp:inchikey "UAOMVDZJSHZZME-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002228;
skos:inScheme vlcs:chemische_stof;
skos:notation "DiC3yAe";
skos:prefLabel "diisopropylamine"@nl .
csc:PGMZYNZXIYOOHJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:62526;
dbo:casNumber "3861-41-4";
dbo:formula "C11H9Br2NO2";
dbo:inchi "InChI=1S/C11H9Br2NO2/c1-2-3-10(15)16-11-8(12)4-7(6-14)5-9(11)13/h4-5H,2-3H2,1H3";
dbo:iupacName "(2,6-dibromo-4-cyanophenyl) butanoate"@en;
dbo:pubchem "62526"^^xsd:int;
dbo:smiles "CCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br";
dbp:inchikey "PGMZYNZXIYOOHJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002319;
skos:inScheme vlcs:chemische_stof;
skos:notation "bromxnbtrt";
skos:prefLabel "bromoxynil butyraat"@nl .
csc:NKDDWNXOKDWJAK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8020;
dbo:casNumber "109-87-5";
dbo:formula "C3H8O2";
dbo:inchi "InChI=1S/C3H8O2/c1-4-3-5-2/h3H2,1-2H3";
dbo:iupacName "Dimethoxymethane"@en;
dbo:pubchem "8020"^^xsd:int;
dbo:smiles "COCOC";
dbp:inchikey "NKDDWNXOKDWJAK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001656;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1oxC1a";
skos:prefLabel "dimethoxymethaan"@nl .
csc:PQNFLJBBNBOBRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:10326;
dbo:casNumber "56573-11-6" , "496-11-7";
dbo:formula "C9H10";
dbo:inchi "InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2";
dbo:iupacName "2,3-Dihydro-1H-indene"@en;
dbo:pubchem "10326"^^xsd:int;
dbo:smiles "C1CC2=CC=CC=C2C1";
dbp:inchikey "PQNFLJBBNBOBRQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000027;
skos:inScheme vlcs:chemische_stof;
skos:notation "inda";
skos:prefLabel "indaan"@nl .
csc:WWJZWCUNLNYYAU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5392;
dbo:casNumber "3383-96-8" , "53320-58-4";
dbo:formula "C16H20O6P2S3";
dbo:inchi "InChI=1S/C16H20O6P2S3/c1-17-23(25,18-2)21-13-5-9-15(10-6-13)27-16-11-7-14(8-12-16)22-24(26,19-3)20-4/h5-12H,1-4H3";
dbo:iupacName "[4-(4-dimethoxyphosphinothioyloxyphenyl)sulfanylphenoxy]-dimethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "5392"^^xsd:int;
dbo:smiles "COP(=S)(OC)OC1=CC=C(C=C1)SC2=CC=C(C=C2)OP(=S)(OC)OC";
dbp:inchikey "WWJZWCUNLNYYAU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "temfs";
skos:prefLabel "temefos"@nl .
csc:GMTWWEPBGGXBTO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:151371;
dbo:casNumber "56161-73-0" , "57226-68-3";
dbo:formula "C16H17ClF3NO";
dbo:inchi "InChI=1S/C16H16F3NO.ClH/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12;/h1-9,15H,10-11,20H2;1H";
dbo:iupacName "3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine hydrochloride"@en;
dbo:pubchem "151371"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(CCN)OC2=CC=C(C=C2)C(F)(F)F.Cl";
dbp:inchikey "GMTWWEPBGGXBTO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004551;
skos:inScheme vlcs:chemische_stof;
skos:notation "norfoxtneHCL";
skos:prefLabel "norfluoxetine hydrochloride"@nl .
csc:YLQWCDOCJODRMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:10241;
dbo:casNumber "486-25-9";
dbo:formula "C13H8O";
dbo:inchi "InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H";
dbo:iupacName "Fluoren-9-one"@en;
dbo:pubchem "10241"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C3=CC=CC=C3C2=O";
dbp:inchikey "YLQWCDOCJODRMT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000020;
skos:inScheme vlcs:chemische_stof;
skos:notation "9fluornn";
skos:prefLabel "9-fluorenon"@nl .
csc:NIQCNGHVCWTJSM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8554;
dbo:casNumber "64441-70-9" , "131-11-3";
dbo:formula "C10H10O4";
dbo:inchi "InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3";
dbo:iupacName "dimethyl benzene-1,2-dicarboxylate"@en;
dbo:pubchem "8554"^^xsd:int;
dbo:smiles "COC(=O)C1=CC=CC=C1C(=O)OC";
dbp:inchikey "NIQCNGHVCWTJSM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:exactMatch wise:CAS_131-11-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC1yFt";
skos:prefLabel "dimethylftalaat"@nl .
csc:BXPMAGSOWXBZHS-WEVVVXLNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:9568700;
dbo:casNumber "1646-87-3";
dbo:formula "C7H14N2O3S";
dbo:inchi "InChI=1S/C7H14N2O3S/c1-7(2,13(4)11)5-9-12-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+";
dbo:iupacName "[(2-methyl-2-methylsulfinylpropylidene)amino] N-methylcarbamate"@en;
dbo:pubchem "9568700"^^xsd:int;
dbo:smiles "CC(C)(C=NOC(=O)NC)S(=O)C";
dbp:inchikey "BXPMAGSOWXBZHS-WEVVVXLNSA-N";
skos:broader csc:CHEMONTID_0004752;
skos:inScheme vlcs:chemische_stof;
skos:notation "alDcSO";
skos:prefLabel "aldicarbsulfoxide"@nl .
csc:AJMAYLFJZQYRHN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:23136180;
dbo:casNumber "120226-60-0";
dbo:formula "C12H5F21O3S";
dbo:inchi "InChI=1S/C12H5F21O3S/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H,34,35,36)";
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecane-1-sulfonic acid"@en;
dbo:pubchem "23136180"^^xsd:int;
dbo:smiles "C(CS(=O)(=O)O)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";
dbp:inchikey "AJMAYLFJZQYRHN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001179;
skos:inScheme vlcs:chemische_stof;
skos:notation "10:2 FTS";
skos:prefLabel "10:2 fluortelomeersulfonzuur"@nl .
csc:WTEVQBCEXWBHNA-JXMROGBWSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:638011;
dbo:casNumber "5392-40-5" , "141-27-5" , "8022-94-4" , "96680-15-8" , "37350-34-8";
dbo:formula "C10H16O";
dbo:inchi "InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+";
dbo:iupacName "['(2E)-3,7-dimethylocta-2,6-dienal', '3,7-dimethylocta-2,6-dienal']"@en;
dbo:pubchem "638011"^^xsd:int;
dbo:smiles "CC(=CCCC(=CC=O)C)C";
dbp:inchikey "WTEVQBCEXWBHNA-JXMROGBWSA-N";
skos:broader csc:CHEMONTID_0001127;
skos:inScheme vlcs:chemische_stof;
skos:notation "citl";
skos:prefLabel "citral"@nl .
csc:GSNZNZUNAJCHDO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:18870;
dbo:casNumber "3408-97-7";
dbo:formula "C9H11BrN2O";
dbo:inchi "InChI=1S/C9H11BrN2O/c1-12(2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)";
dbo:iupacName "3-(4-bromophenyl)-1,1-dimethylurea"@en;
dbo:pubchem "18870"^^xsd:int;
dbo:smiles "CN(C)C(=O)NC1=CC=C(C=C1)Br";
dbp:inchikey "GSNZNZUNAJCHDO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001935;
skos:inScheme vlcs:chemische_stof;
skos:notation "brmrn";
skos:prefLabel "bromuron"@nl .
csc:SGZRQMALQBXAIQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:16037;
dbo:casNumber "13392-18-2";
dbo:formula "C17H22BrNO4";
dbo:inchi "InChI=1S/C17H21NO4.BrH/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13;/h2-5,7-9,11,17-22H,6,10H2,1H3;1H";
dbo:iupacName "[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]-[1-(4-hydroxyphenyl)propan-2-yl]azanium bromide"@en;
dbo:pubchem "16037"^^xsd:int;
dbo:smiles "CC(CC1=CC=C(C=C1)O)[NH2+]CC(C2=CC(=CC(=C2)O)O)O.[Br-]";
dbp:inchikey "SGZRQMALQBXAIQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000188;
skos:inScheme vlcs:chemische_stof;
skos:notation "fentrl";
skos:prefLabel "fenoterol"@nl .
csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6294;
dbo:casNumber "72-54-8";
dbo:formula "C14H10Cl4";
dbo:inchi "InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H";
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene"@en;
dbo:pubchem "6294"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl";
dbp:inchikey "AHJKRLASYNVKDZ-UHFFFAOYSA-N";
skos:altLabel "4,4'-dichloordifenyldichloorethaan"@nl , "pp'dichloordifenyldichloorethaan"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:exactMatch wise:CAS_72-54-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DDD";
skos:prefLabel "p,p’-ddd"@nl .
csc:SHXWCVYOXRDMCX-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:1615;
dbo:casNumber "54946-52-0" , "42542-10-9" , "69610-10-2";
dbo:formula "C11H15NO2";
dbo:inchi "InChI=1S/C11H15NO2/c1-8(12-2)5-9-3-4-10-11(6-9)14-7-13-10/h3-4,6,8,12H,5,7H2,1-2H3";
dbo:iupacName "1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine"@en;
dbo:pubchem "1615"^^xsd:int;
dbo:smiles "CC(CC1=CC2=C(C=C1)OCO2)NC";
dbp:inchikey "SHXWCVYOXRDMCX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000296;
skos:inScheme vlcs:chemische_stof;
skos:notation "34C1yeDoxmaf";
skos:prefLabel "3,4-methyleendioxymethamfetamine"@nl .
csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:24723;
dbo:casNumber "126-75-0";
dbo:formula "C8H19O3PS2";
dbo:inchi "InChI=1S/C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3/h4-8H2,1-3H3";
dbo:iupacName "1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane"@en;
dbo:pubchem "24723"^^xsd:int;
dbo:smiles "CCOP(=O)(OCC)SCCSCC";
dbp:inchikey "GRPRVIYRYGLIJU-UHFFFAOYSA-N";
skos:altLabel "demeton-s"@nl;
skos:broader csc:CHEMONTID_0001438;
skos:exactMatch wise:CAS_126-75-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "demtnS";
skos:prefLabel "demeton-S"@nl .
csc:MCOQHIWZJUDQIC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7551;
dbo:casNumber "101-27-9";
dbo:formula "C11H9Cl2NO2";
dbo:inchi "InChI=1S/C11H9Cl2NO2/c12-6-1-2-7-16-11(15)14-10-5-3-4-9(13)8-10/h3-5,8H,6-7H2,(H,14,15)";
dbo:iupacName "4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate"@en;
dbo:pubchem "7551"^^xsd:int;
dbo:smiles "C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCCl";
dbp:inchikey "MCOQHIWZJUDQIC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004714;
skos:inScheme vlcs:chemische_stof;
skos:notation "barbn";
skos:prefLabel "barban"@nl .
csc:QGTYWWGEWOBMAK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:32739;
dbo:casNumber "24934-91-6";
dbo:formula "C5H12ClO2PS2";
dbo:inchi "InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3";
dbo:iupacName "chloromethylsulfanyl-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "32739"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)SCCl";
dbp:inchikey "QGTYWWGEWOBMAK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004164;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clmfs";
skos:prefLabel "chloormefos"@nl .
csc:UEBFLTZXUXZPJO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:139575;
dbo:casNumber "13750-81-7";
dbo:formula "C5H6N2O";
dbo:inchi "InChI=1S/C5H6N2O/c1-7-3-2-6-5(7)4-8/h2-4H,1H3";
dbo:iupacName "1-methylimidazole-2-carbaldehyde"@en;
dbo:pubchem "139575"^^xsd:int;
dbo:smiles "CN1C=CN=C1C=O";
dbp:inchikey "UEBFLTZXUXZPJO-UHFFFAOYSA-N";
skos:altLabel "1-methyl-1H-imidazool-2-carbaldehyde"@nl;
skos:broader csc:CHEMONTID_0003213;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1y1Himdz2c";
skos:prefLabel "1-methyl-1h-imidazool-2-carbaldehyde"@nl .
csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6433227;
dbo:casNumber "29106-31-8" , "19595-59-6" , "12640-58-3" , "959-98-8" , "33213-66-0";
dbo:formula "C9H6Cl6O3S";
dbo:inchi "InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8?,19?/m1/s1";
dbo:iupacName "(2R,8S,9R)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide"@en;
dbo:pubchem "6433227"^^xsd:int;
dbo:smiles "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "RDYMFSUJUZBWLH-GDSHQCHSSA-N";
skos:broader csc:CHEMONTID_0002074;
skos:exactMatch wise:CAS_959-98-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "aedsfn";
skos:prefLabel "alfa-endosulfan"@nl .
csc:GKQHIYSTBXDYNQ-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7717;
dbo:casNumber "138870-69-6" , "104-73-4" , "104-74-5";
dbo:formula "C17H30ClN";
dbo:inchi "InChI=1S/C17H30N.ClH/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;/h11,13-14,16-17H,2-10,12,15H2,1H3;1H/q+1;/p-1";
dbo:iupacName "1-dodecylpyridin-1-ium chloride"@en;
dbo:pubchem "7717"^^xsd:int;
dbo:smiles "CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]";
dbp:inchikey "GKQHIYSTBXDYNQ-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0001764;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C12yprdnCl";
skos:prefLabel "1-dodecylpyridinium chloride"@nl .
csc:MNEXVZFQQPKDHC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:86998;
dbo:casNumber "68259-12-1";
dbo:formula "C9HF19O3S";
dbo:inchi "InChI=1S/C9HF19O3S/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31/h(H,29,30,31)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononane-1-sulfonic acid"@en;
dbo:pubchem "86998"^^xsd:int;
dbo:smiles "C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "MNEXVZFQQPKDHC-UHFFFAOYSA-N";
skos:altLabel "perfluor-n-nonaansulfonzuur"@nl , "perfluornonaan-1-sulfonzuur"@nl;
skos:broader csc:CHEMONTID_0003961;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFC9asfzr" , "PFNS";
skos:prefLabel "perfluor-n-nonaansulfonzuur (pfns)"@nl .
csc:QKICWELGRMTQCR-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:64927;
dbo:casNumber "69698-56-2" , "6384-82-3" , "50-63-5";
dbo:formula "C18H32ClN3O8P2";
dbo:inchi "InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)";
dbo:iupacName "N'-(7-chloroquinolin-4-yl)-N,N-diethylpentane-1,4-diamine; phosphoric acid"@en;
dbo:pubchem "64927"^^xsd:int;
dbo:smiles "CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O";
dbp:inchikey "QKICWELGRMTQCR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004537;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClqnDFO4";
skos:prefLabel "chloorquinedifosfaat"@nl .
csc:ARERIMFZYPFJAV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:38386;
dbo:casNumber "82458-12-6" , "115633-92-6" , "40088-47-9";
dbo:formula "C12H6Br4O";
dbo:inchi "InChI=1S/C12H6Br4O/c13-7-1-3-8(4-2-7)17-10-6-5-9(14)11(15)12(10)16/h1-6H";
dbo:iupacName "1,2,3-tribromo-4-(4-bromophenoxy)benzene"@en;
dbo:pubchem "38386"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br";
dbp:inchikey "ARERIMFZYPFJAV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001845;
skos:exactMatch wise:CAS_40088-47-9;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "tetrabroomdifenylether"@nl .
csc:QMVPMAAFGQKVCJ-SNVBAGLBSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:101977;
dbo:casNumber "1117-61-9" , "106-22-9";
dbo:formula "C10H20O";
dbo:inchi "InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h5,10-11H,4,6-8H2,1-3H3/t10-/m1/s1";
dbo:iupacName "(3R)-3,7-dimethyloct-6-en-1-ol"@en;
dbo:pubchem "101977"^^xsd:int;
dbo:smiles "CC(CCC=C(C)C)CCO";
dbp:inchikey "QMVPMAAFGQKVCJ-SNVBAGLBSA-N";
skos:broader csc:CHEMONTID_0001127;
skos:inScheme vlcs:chemische_stof;
skos:notation "citnll";
skos:prefLabel "citronellol"@nl .
csc:URKOMYMAXPYINW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5002;
dbo:casNumber "111974-69-7";
dbo:formula "C21H25N3O2S";
dbo:inchi "InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2";
dbo:iupacName "2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol"@en;
dbo:pubchem "5002"^^xsd:int;
dbo:smiles "C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42";
dbp:inchikey "URKOMYMAXPYINW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000055;
skos:inScheme vlcs:chemische_stof;
skos:notation "quetpne";
skos:prefLabel "quetiapine"@nl .
csc:HSUGRBWQSSZJOP-RTWAWAEBSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:39186;
dbo:casNumber "42399-41-7";
dbo:formula "C22H26N2O4S";
dbo:inchi "InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1";
dbo:iupacName "[(2S,3S)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate"@en;
dbo:pubchem "39186"^^xsd:int;
dbo:smiles "CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC";
dbp:inchikey "HSUGRBWQSSZJOP-RTWAWAEBSA-N";
skos:broader csc:CHEMONTID_0000317;
skos:inScheme vlcs:chemische_stof;
skos:notation "diltazm";
skos:prefLabel "diltiazem"@nl .
csc:XYLMUPLGERFSHI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:7407;
dbo:casNumber "98-83-9" , "25014-31-7" , "42612-14-6";
dbo:formula "C9H10";
dbo:inchi "InChI=1S/C9H10/c1-8(2)9-6-4-3-5-7-9/h3-7H,1H2,2H3";
dbo:iupacName "prop-1-en-2-ylbenzene"@en;
dbo:pubchem "7407"^^xsd:int;
dbo:smiles "CC(=C)C1=CC=CC=C1";
dbp:inchikey "XYLMUPLGERFSHI-UHFFFAOYSA-N";
skos:altLabel "alfa-methylstyreen"@nl;
skos:broader csc:CHEMONTID_0000045;
skos:inScheme vlcs:chemische_stof;
skos:notation "aC1ysrn";
skos:prefLabel "isopropenylbenzeen (alfa-methylstyreen)"@nl .
csc:CDBYLPFSWZWCQE-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:10340;
dbo:casNumber "497-19-8" , "1332-57-6";
dbo:formula "CNa2O3";
dbo:inchi "InChI=1S/CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2";
dbo:iupacName "Disodium carbonate"@en;
dbo:pubchem "10340"^^xsd:int;
dbo:smiles "C(=O)([O-])[O-].[Na+].[Na+]";
dbp:inchikey "CDBYLPFSWZWCQE-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001521;
skos:inScheme vlcs:chemische_stof;
skos:notation "Na2CO3";
skos:prefLabel "natriumcarbonaat"@nl .
csc:MNWBNISUBARLIT-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8929;
dbo:casNumber "13998-03-3" , "143-33-9" , "25596-52-5";
dbo:formula "CNNa";
dbo:inchi "InChI=1S/CN.Na/c1-2;/q-1;+1";
dbo:iupacName "Sodium cyanide"@en;
dbo:pubchem "8929"^^xsd:int;
dbo:smiles "[C-]#N.[Na+]";
dbp:inchikey "MNWBNISUBARLIT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000525;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaCN";
skos:prefLabel "natriumcyanide"@nl .
csc:WIIZWVCIJKGZOK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:298;
dbo:casNumber "579-51-1" , "56-75-7";
dbo:formula "C11H12Cl2N2O5";
dbo:inchi "InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)";
dbo:iupacName "2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide"@en;
dbo:pubchem "298"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]";
dbp:inchikey "WIIZWVCIJKGZOK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clafncl";
skos:prefLabel "chlooramfenicol"@nl .
csc:VUVGYHUDAICLFK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:30318;
dbo:casNumber "20816-12-0" , "12060-19-4" , "7446-13-1";
dbo:formula "O4Os";
dbo:inchi "InChI=1S/4O.Os";
dbo:iupacName "tetraoxoosmium"@en;
dbo:pubchem "30318"^^xsd:int;
dbo:smiles "O=[Os](=O)(=O)=O";
dbp:inchikey "VUVGYHUDAICLFK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000538;
skos:inScheme vlcs:chemische_stof;
skos:notation "OsT4O";
skos:prefLabel "osmium tetraoxide"@nl .
csc:DTAPQAJKAFRNJB-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17516;
dbo:casNumber "4111-89-1" , "2631-37-0" , "31677-56-2";
dbo:formula "C12H17NO2";
dbo:inchi "InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)";
dbo:iupacName "(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate"@en;
dbo:pubchem "17516"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1)OC(=O)NC)C(C)C";
dbp:inchikey "DTAPQAJKAFRNJB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004640;
skos:inScheme vlcs:chemische_stof;
skos:notation "promcb";
skos:prefLabel "promecarb"@nl .
csc:LJYOFQHKEWTQRH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4964;
dbo:casNumber "2491-38-5";
dbo:formula "C8H7BrO2";
dbo:inchi "InChI=1S/C8H7BrO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,10H,5H2";
dbo:iupacName "2-bromo-1-(4-hydroxyphenyl)ethanone"@en;
dbo:pubchem "4964"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(=O)CBr)O";
dbp:inchikey "LJYOFQHKEWTQRH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004298;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Br14HOFyC2a";
skos:prefLabel "2-broom-1-(4-hydroxyfenyl)ethaan-1-on"@nl .
csc:UAUDZVJPLUQNMU-KTKRTIGZSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5365371;
dbo:casNumber "93050-58-9" , "80399-99-1" , "116749-29-2" , "112-84-5";
dbo:formula "C22H43NO";
dbo:inchi "InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-";
dbo:iupacName "(Z)-Docos-13-enamide"@en;
dbo:pubchem "5365371"^^xsd:int;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCC(=O)N";
dbp:inchikey "UAUDZVJPLUQNMU-KTKRTIGZSA-N";
skos:altLabel "cis-13-docosenamide"@nl;
skos:broader csc:CHEMONTID_0000331;
skos:inScheme vlcs:chemische_stof;
skos:notation "c13C22eAd";
skos:prefLabel "cis-13-Docosenamide"@nl .
csc:LHHMNJZNWUJFOC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:8296;
dbo:casNumber "53569-58-7" , "122681-86-1" , "115-98-0";
dbo:formula "C6H11Cl2O3P";
dbo:inchi "InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2";
dbo:iupacName "1-[bis(2-chloroethoxy)phosphoryl]ethene"@en;
dbo:pubchem "8296"^^xsd:int;
dbo:smiles "C=CP(=O)(OCCCl)OCCCl";
dbp:inchikey "LHHMNJZNWUJFOC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003893;
skos:inScheme vlcs:chemische_stof;
skos:notation "bis2ClC2yetn";
skos:prefLabel "bis(2-chloorethyl)ethenylfosfonaat"@nl .
csc:ZYHJQFMTTFCBKH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:17629;
dbo:casNumber "2719-62-2";
dbo:formula "C18H30";
dbo:inchi "InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3";
dbo:iupacName "dodecan-6-ylbenzene"@en;
dbo:pubchem "17629"^^xsd:int;
dbo:smiles "CCCCCCC(CCCCC)C1=CC=CC=C1";
dbp:inchikey "ZYHJQFMTTFCBKH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:inScheme vlcs:chemische_stof;
skos:notation "6FyC12a";
skos:prefLabel "6-fenyldodecaan"@nl .
csc:WIGIZIANZCJQQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3476;
dbo:casNumber "93479-97-1";
dbo:formula "C24H34N4O5S";
dbo:inchi "InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)";
dbo:iupacName "3-ethyl-4-methyl-N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxo-5H-pyrrole-1-carboxamide"@en;
dbo:pubchem "3476"^^xsd:int;
dbo:smiles "CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C";
dbp:inchikey "WIGIZIANZCJQQY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000031;
skos:inScheme vlcs:chemische_stof;
skos:notation "glimprde";
skos:prefLabel "glimepiride"@nl .
csc:TUAMRELNJMMDMT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7948;
dbo:casNumber "50356-23-5" , "108-68-9";
dbo:formula "C8H10O";
dbo:inchi "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3";
dbo:iupacName "3,5-Dimethylphenol"@en;
dbo:pubchem "7948"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1)O)C";
dbp:inchikey "TUAMRELNJMMDMT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001273;
skos:exactMatch wise:CAS_108-68-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "35DC1yFol";
skos:prefLabel "3,5-dimethylfenol"@nl .
csc:ZRSNZINYAWTAHE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:31244;
dbo:casNumber "50984-52-6" , "123-11-5" , "68894-36-0" , "26249-15-0";
dbo:formula "C8H8O2";
dbo:inchi "InChI=1S/C8H8O2/c1-10-8-4-2-7(6-9)3-5-8/h2-6H,1H3";
dbo:iupacName "4-Methoxybenzaldehyde"@en;
dbo:pubchem "31244"^^xsd:int;
dbo:smiles "COC1=CC=C(C=C1)C=O";
dbp:inchikey "ZRSNZINYAWTAHE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000321;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C1oxbzAh";
skos:prefLabel "4-methoxybenzaldehyde"@nl .
csc:OAICVXFJPJFONN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5462309;
dbo:casNumber "7723-14-0";
dbo:formula "P";
dbo:inchi "InChI=1S/P";
dbo:iupacName "Phosphorus"@en;
dbo:pubchem "5462309"^^xsd:int;
dbo:smiles "[P]";
dbp:inchikey "OAICVXFJPJFONN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000434;
skos:exactMatch wise:CAS_7723-14-0;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "fosfor"@nl .
csc:DEIGXXQKDWULML-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:18529;
dbo:casNumber "23774-70-1" , "3194-55-6";
dbo:formula "C12H18Br6";
dbo:inchi "InChI=1S/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2";
dbo:iupacName "1,2,5,6,9,10-HEXABROMOCYCLODODECANE"@en;
dbo:pubchem "18529"^^xsd:int;
dbo:smiles "C1CC(C(CCC(C(CCC(C1Br)Br)Br)Br)Br)Br";
dbp:inchikey "DEIGXXQKDWULML-UHFFFAOYSA-N";
skos:altLabel "hexabroomcyclododecaan"@nl , "hexabroomcyclododecaan (hbcd)"@nl;
skos:broader csc:CHEMONTID_0001515;
skos:exactMatch wise:CAS_3194-55-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "sHBCD";
skos:prefLabel "som 1,2,5,6,9,10-hexabroomcyclododecaan"@nl .
csc:ACEKLXZRZOWKRY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:75922;
dbo:casNumber "2706-91-4";
dbo:formula "C5HF11O3S";
dbo:inchi "InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)";
dbo:iupacName "1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid"@en;
dbo:pubchem "75922"^^xsd:int;
dbo:smiles "C(C(C(F)(F)F)(F)F)(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F";
dbp:inchikey "ACEKLXZRZOWKRY-UHFFFAOYSA-N";
skos:altLabel "perfluor-n-pentaansulfonzuur (pfpes)"@nl , "perfluor-1-pentaansulfonzuur"@nl , "perfluor-n-pentaansulfonzuur"@nl;
skos:broader csc:CHEMONTID_0003961;
skos:inScheme vlcs:chemische_stof;
skos:notation "PFC5asfzr" , "PFPeS";
skos:prefLabel "perfluorpentaansulfonzuur (pfpes)"@nl .
csc:QIQXTHQIDYTFRH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5281;
dbo:casNumber "85404-83-7" , "609343-71-7" , "126539-56-8" , "58392-66-8" , "39390-61-9" , "8013-28-3" , "8039-54-1" , "8023-06-1" , "8037-83-0" , "57485-56-0" , "68937-76-8" , "30399-84-9" , "8037-40-9" , "57-11-4" , "8039-51-8" , "8039-53-0" , "134503-33-6" , "82497-27-6" , "8039-52-9";
dbo:formula "C18H36O2";
dbo:inchi "InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)";
dbo:iupacName "Octadecanoic acid"@en;
dbo:pubchem "5281"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCC(=O)O";
dbp:inchikey "QIQXTHQIDYTFRH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002949;
skos:inScheme vlcs:chemische_stof;
skos:notation "C18azr";
skos:prefLabel "octadecaanzuur"@nl .
csc:FUNUTBJJKQIVSY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7254;
dbo:casNumber "95-73-8";
dbo:formula "C7H6Cl2";
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3";
dbo:iupacName "2,4-Dichloro-1-methylbenzene"@en;
dbo:pubchem "7254"^^xsd:int;
dbo:smiles "CC1=C(C=C(C=C1)Cl)Cl";
dbp:inchikey "FUNUTBJJKQIVSY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DClTol";
skos:prefLabel "2,4-dichloortolueen"@nl .
csc:KIWUVOGUEXMXSV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8860;
dbo:casNumber "141-84-4" , "6913-23-1" , "38895-62-4";
dbo:formula "C3H3NOS2";
dbo:inchi "InChI=1S/C3H3NOS2/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)";
dbo:iupacName "2-sulfanylidene-1,3-thiazolidin-4-one"@en;
dbo:pubchem "8860"^^xsd:int;
dbo:smiles "C1C(=O)N=C(S1)S";
dbp:inchikey "KIWUVOGUEXMXSV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001923;
skos:inScheme vlcs:chemische_stof;
skos:notation "rhodnne";
skos:prefLabel "rhodanine"@nl .
csc:ACGUYXCXAPNIKK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3598;
dbo:casNumber "70-30-4" , "139411-96-4" , "8054-98-6";
dbo:formula "C13H6Cl6O2";
dbo:inchi "InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2";
dbo:iupacName "3,4,6-trichloro-2-[(2,3,5-trichloro-6-hydroxyphenyl)methyl]phenol"@en;
dbo:pubchem "3598"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl";
dbp:inchikey "ACGUYXCXAPNIKK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "HxClfn";
skos:prefLabel "hexachloorfeen"@nl .
csc:DTOSIQBPPRVQHS-IUQGRGSQSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5282822;
dbo:casNumber "28290-79-1" , "463-40-1" , "85392-75-2" , "1955-33-5";
dbo:formula "C18H30O2";
dbo:inchi "InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+";
dbo:iupacName "['Octadeca-9,12,15-trienoic acid', '(9E,12E,15E)-octadeca-9,12,15-trienoic acid']"@en;
dbo:pubchem "5282822"^^xsd:int;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCC(=O)O";
dbp:inchikey "DTOSIQBPPRVQHS-IUQGRGSQSA-N";
skos:broader csc:CHEMONTID_0000504;
skos:inScheme vlcs:chemische_stof;
skos:notation "alnlzr";
skos:prefLabel "alfa-linoleenzuur"@nl .
csc:DJDSLBVSSOQSLW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:20393;
dbo:casNumber "4376-20-9";
dbo:formula "C16H22O4";
dbo:inchi "InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)";
dbo:iupacName "2-(2-ethylhexoxycarbonyl)benzoic acid"@en;
dbo:pubchem "20393"^^xsd:int;
dbo:smiles "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O";
dbp:inchikey "DJDSLBVSSOQSLW-UHFFFAOYSA-N";
skos:altLabel "monoethylhexylftalaat (mehp)"@nl;
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "MEHP";
skos:prefLabel "monoethylhexylftalaat (MEHP)"@nl .
csc:DDMOUSALMHHKOS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6429;
dbo:casNumber "76-14-2" , "1320-37-2";
dbo:formula "C2Cl2F4";
dbo:inchi "InChI=1S/C2Cl2F4/c3-1(5,6)2(4,7)8";
dbo:iupacName "1,2-Dichloro-1,1,2,2-tetrafluoroethane"@en;
dbo:pubchem "6429"^^xsd:int;
dbo:smiles "C(C(F)(F)Cl)(F)(F)Cl";
dbp:inchikey "DDMOUSALMHHKOS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004521;
skos:inScheme vlcs:chemische_stof;
skos:notation "CFK114";
skos:prefLabel "1,2-dichloortetrafluorethaan"@nl .
csc:SYQBFIAQOQZEGI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:23937;
dbo:casNumber "7440-04-2";
dbo:formula "Os";
dbo:inchi "InChI=1S/Os";
dbo:iupacName "OSMIUM"@en;
dbo:pubchem "23937"^^xsd:int;
dbo:smiles "[Os]";
dbp:inchikey "SYQBFIAQOQZEGI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Os";
skos:prefLabel "osmium"@nl .
csc:OOBSUSUFVSSVFU-GQCTYLIASA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6437490;
dbo:casNumber "68155-39-5";
dbo:formula "C18H37NO";
dbo:inchi "InChI=1S/C18H37NO/c1-2-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h4,6H,2-3,5,7-19H2,1H3/b6-4+";
dbo:iupacName "(E)-16-ethoxyhexadec-9-en-1-amine"@en;
dbo:pubchem "6437490"^^xsd:int;
dbo:smiles "CCOCCCCCCC=CCCCCCCCCN";
dbp:inchikey "OOBSUSUFVSSVFU-GQCTYLIASA-N";
skos:altLabel "c14-c18 en c16-c18 onverzadigd alkylamine-ethoxylaat"@nl;
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "C14C18C16C18";
skos:prefLabel "C14-C18 en C16-C18 onverzadigd alkylamine-ethoxylaat"@nl .
csc:UZCGKGPEKUCDTF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:91731;
dbo:casNumber "113015-31-9" , "79622-59-6";
dbo:formula "C13H4Cl2F6N4O4";
dbo:inchi "InChI=1S/C13H4Cl2F6N4O4/c14-6-1-4(12(16,17)18)3-22-11(6)23-9-7(24(26)27)2-5(13(19,20)21)8(15)10(9)25(28)29/h1-3H,(H,22,23)";
dbo:iupacName "3-chloro-N-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine"@en;
dbo:pubchem "91731"^^xsd:int;
dbo:smiles "C1=C(C=NC(=C1Cl)NC2=C(C=C(C(=C2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F";
dbp:inchikey "UZCGKGPEKUCDTF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004551;
skos:inScheme vlcs:chemische_stof;
skos:notation "fluaznm";
skos:prefLabel "fluazinam"@nl .
csc:KKWHDMUCBWSKGL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:2733946;
dbo:casNumber "79415-41-1";
dbo:formula "C7H3Br5O";
dbo:inchi "InChI=1S/C7H3Br5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2";
dbo:iupacName "(2,3,4,5,6-pentabromophenyl)methanol"@en;
dbo:pubchem "2733946"^^xsd:int;
dbo:smiles "C(C1=C(C(=C(C(=C1Br)Br)Br)Br)Br)O";
dbp:inchikey "KKWHDMUCBWSKGL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000033;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "pentabroombenzylalcohol"@nl .
csc:RIIWUGSYXOBDMC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11990;
dbo:casNumber "615-28-1";
dbo:formula "C6H10Cl2N2";
dbo:inchi "InChI=1S/C6H8N2.2ClH/c7-5-3-1-2-4-6(5)8;;/h1-4H,7-8H2;2*1H";
dbo:iupacName "benzene-1,2-diamine dihydrochloride"@en;
dbo:pubchem "11990"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)N)N.Cl.Cl";
dbp:inchikey "RIIWUGSYXOBDMC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "12BenDAeDHCl";
skos:prefLabel "1,2-benzeendiamine dihydrochloride"@nl .
csc:BGJSXRVXTHVRSN-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8081;
dbo:casNumber "113783-48-5" , "110-88-3";
dbo:formula "C3H6O3";
dbo:inchi "InChI=1S/C3H6O3/c1-4-2-6-3-5-1/h1-3H2";
dbo:iupacName "1,3,5-Trioxane"@en;
dbo:pubchem "8081"^^xsd:int;
dbo:smiles "C1OCOCO1";
dbp:inchikey "BGJSXRVXTHVRSN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001853;
skos:inScheme vlcs:chemische_stof;
skos:notation "TOxC1ye";
skos:prefLabel "trioxymethyleen"@nl .
csc:JAZJVWLGNLCNDD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:30859;
dbo:casNumber "51052-59-6" , "21923-23-9";
dbo:formula "C11H15Cl2O3PS2";
dbo:inchi "InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3";
dbo:iupacName "(2,5-dichloro-4-methylsulfanylphenoxy)-diethoxy-sulfanylidenephosphorane"@en;
dbo:pubchem "30859"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)SC)Cl";
dbp:inchikey "JAZJVWLGNLCNDD-UHFFFAOYSA-N";
skos:altLabel "chloorthiofos i"@nl;
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "CltofsI";
skos:prefLabel "chloorthiofos I"@nl .
csc:ASLWPAWFJZFCKF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:26177;
dbo:casNumber "13674-87-8";
dbo:formula "C9H15Cl6O4P";
dbo:inchi "InChI=1S/C9H15Cl6O4P/c10-1-7(2-11)17-20(16,18-8(3-12)4-13)19-9(5-14)6-15/h7-9H,1-6H2";
dbo:iupacName "tris(1,3-dichloropropan-2-yl) phosphate"@en;
dbo:pubchem "26177"^^xsd:int;
dbo:smiles "C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl";
dbp:inchikey "ASLWPAWFJZFCKF-UHFFFAOYSA-N";
skos:altLabel "tris-(1,3-dichloor-2-propyl)-fosfaat"@nl;
skos:broader csc:CHEMONTID_0003460;
skos:inScheme vlcs:chemische_stof;
skos:notation "tris2Cl1ClC1";
skos:prefLabel "tris(2-chloor-1-(chloormethyl)ethyl)fosfaat"@nl .
csc:GUVUOGQBMYCBQP-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:81646;
dbo:casNumber "7226-23-5";
dbo:formula "C6H12N2O";
dbo:inchi "InChI=1S/C6H12N2O/c1-7-4-3-5-8(2)6(7)9/h3-5H2,1-2H3";
dbo:iupacName "1,3-dimethyl-1,3-diazinan-2-one"@en;
dbo:pubchem "81646"^^xsd:int;
dbo:smiles "CN1CCCN(C1=O)C";
dbp:inchikey "GUVUOGQBMYCBQP-UHFFFAOYSA-N";
skos:altLabel "1,3-dimethyl-3,4,5,6-tetrahydro-2(1h)-pyrimidinon"@nl;
skos:broader csc:CHEMONTID_0000291;
skos:inScheme vlcs:chemische_stof;
skos:notation "13DC1yT4H21H";
skos:prefLabel "1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinon"@nl .
csc:VXNZUUAINFGPBY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7844;
dbo:casNumber "1735-75-7" , "54366-07-3" , "25167-67-3" , "33004-02-3" , "9003-28-5" , "61788-35-0" , "106-98-9" , "25038-50-0" , "172345-47-0";
dbo:formula "C4H8";
dbo:inchi "InChI=1S/C4H8/c1-3-4-2/h3H,1,4H2,2H3";
dbo:iupacName "But-1-ene"@en;
dbo:pubchem "7844"^^xsd:int;
dbo:smiles "CCC=C";
dbp:inchikey "VXNZUUAINFGPBY-UHFFFAOYSA-N";
skos:altLabel "1-buteen"@nl;
skos:broader csc:CHEMONTID_0004476;
skos:inScheme vlcs:chemische_stof;
skos:notation "polC4e";
skos:prefLabel "polybuteen"@nl .
csc:QHMTXANCGGJZRX-WUXMJOGZSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:9576037;
dbo:casNumber "123312-89-0";
dbo:formula "C10H11N5O";
dbo:inchi "InChI=1S/C10H11N5O/c1-8-7-15(10(16)14-13-8)12-6-9-3-2-4-11-5-9/h2-6H,7H2,1H3,(H,14,16)/b12-6+";
dbo:iupacName "6-methyl-4-(pyridin-3-ylmethylideneamino)-2,5-dihydro-1,2,4-triazin-3-one"@en;
dbo:pubchem "9576037"^^xsd:int;
dbo:smiles "CC1=NNC(=O)N(C1)N=CC2=CN=CC=C2";
dbp:inchikey "QHMTXANCGGJZRX-WUXMJOGZSA-N";
skos:broader csc:CHEMONTID_0004107;
skos:inScheme vlcs:chemische_stof;
skos:notation "pymtzne";
skos:prefLabel "pymetrozine"@nl .
csc:XPCLSVISJWLKJE-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:168739;
dbo:casNumber "25154-52-3" , "27936-43-2";
dbo:formula "C15H23KO";
dbo:inchi "InChI=1S/C15H24O.K/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16;/h9-10,12-13,16H,2-8,11H2,1H3;/q;+1/p-1";
dbo:iupacName "potassium 2-nonylphenolate"@en;
dbo:pubchem "168739"^^xsd:int;
dbo:smiles "CCCCCCCCCC1=CC=CC=C1[O-].[K+]";
dbp:inchikey "XPCLSVISJWLKJE-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0002536;
skos:inScheme vlcs:chemische_stof;
skos:notation "C9yFol";
skos:prefLabel "nonylfenol"@nl .
csc:PXFDQFDPXWHEEP-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:13740;
dbo:casNumber "959-55-7";
dbo:formula "C17H30ClN";
dbo:inchi "InChI=1S/C17H30N.ClH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1";
dbo:iupacName "benzyl-dimethyl-octylazanium chloride"@en;
dbo:pubchem "13740"^^xsd:int;
dbo:smiles "CCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]";
dbp:inchikey "PXFDQFDPXWHEEP-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0003977;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzDC1yC8yl";
skos:prefLabel "benzyldimethyloctylammoniumchloride"@nl .
csc:BVKZGUZCCUSVTD-UHFFFAOYSA-L
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:19660;
dbo:casNumber "3812-32-6";
dbo:formula "CO3-2";
dbo:inchi "InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2";
dbo:iupacName "carbonate"@en;
dbo:pubchem "19660"^^xsd:int;
dbo:smiles "C(=O)([O-])[O-]";
dbp:inchikey "BVKZGUZCCUSVTD-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0001521;
skos:exactMatch wise:CAS_3812-32-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "CO3";
skos:prefLabel "carbonaat"@nl .
csc:BHNQPLPANNDEGL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:94543;
dbo:casNumber "26636-32-8" , "51437-89-9";
dbo:formula "C16H26O2";
dbo:inchi "InChI=1S/C16H26O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-14-13-17/h9-12,17H,2-8,13-14H2,1H3";
dbo:iupacName "2-(4-octylphenoxy)ethanol"@en;
dbo:pubchem "94543"^^xsd:int;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)OCCO";
dbp:inchikey "BHNQPLPANNDEGL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "octylfenolpolyethoxylaat"@nl .
csc:KFUSEUYYWQURPO-OWOJBTEDSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:638186;
dbo:casNumber "156-60-5" , "43695-79-0" , "540-59-0";
dbo:formula "C2H2Cl2";
dbo:inchi "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+";
dbo:iupacName "['1,2-Dichloroethene', '(E)-1,2-Dichloroethene']"@en;
dbo:pubchem "638186"^^xsd:int;
dbo:smiles "C(=CCl)Cl";
dbp:inchikey "KFUSEUYYWQURPO-OWOJBTEDSA-N";
skos:altLabel "trans-1,2-dichlooretheen"@nl , "1,2-dichlooretheen, cis"@nl , "1,2-dichloorethyleen "@nl , "1,2-dichlooretheen,trans"@nl , "1,2-dichloorethyleen"@nl;
skos:broader csc:CHEMONTID_0002863;
skos:exactMatch wise:CAS_540-59-0 , wise:CAS_156-60-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DClC2e" , "t12DClC2e";
skos:prefLabel "1,2-dichlooretheen"@nl .
csc:OHXAOPZTJOUYKM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11241;
dbo:casNumber "563-47-3";
dbo:formula "C4H7Cl";
dbo:inchi "InChI=1S/C4H7Cl/c1-4(2)3-5/h1,3H2,2H3";
dbo:iupacName "3-Chloro-2-methylprop-1-ene"@en;
dbo:pubchem "11241"^^xsd:int;
dbo:smiles "CC(=C)CCl";
dbp:inchikey "OHXAOPZTJOUYKM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "3Cl2C1y1C3e";
skos:prefLabel "3-chloor-2-methyl-1-propeen"@nl .
csc:OLZQTUCTGLHFTQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:54745;
dbo:casNumber "81406-37-3";
dbo:formula "C15H21Cl2FN2O3";
dbo:inchi "InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)";
dbo:iupacName "octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate"@en;
dbo:pubchem "54745"^^xsd:int;
dbo:smiles "CCCCCCC(C)OC(=O)COC1=NC(=C(C(=C1Cl)N)Cl)F";
dbp:inchikey "OLZQTUCTGLHFTQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003971;
skos:inScheme vlcs:chemische_stof;
skos:notation "fluOxpmtl";
skos:prefLabel "fluroxypyr-meptyl"@nl .
csc:LEEANUDEDHYDTG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:24509;
dbo:casNumber "7778-85-0";
dbo:formula "C5H12O2";
dbo:inchi "InChI=1S/C5H12O2/c1-5(7-3)4-6-2/h5H,4H2,1-3H3";
dbo:iupacName "1,2-DIMETHOXYPROPANE"@en;
dbo:pubchem "24509"^^xsd:int;
dbo:smiles "CC(COC)OC";
dbp:inchikey "LEEANUDEDHYDTG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "12DC1oxC3a";
skos:prefLabel "1,2-dimethoxypropaan"@nl .
csc:HBPDKDSFLXWOAE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5383;
dbo:casNumber "34014-18-1";
dbo:formula "C9H16N4OS";
dbo:inchi "InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)";
dbo:iupacName "1-(5-tert-Butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea"@en;
dbo:pubchem "5383"^^xsd:int;
dbo:smiles "CC(C)(C)C1=NN=C(S1)N(C)C(=O)NC";
dbp:inchikey "HBPDKDSFLXWOAE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004668;
skos:inScheme vlcs:chemische_stof;
skos:notation "tebturn";
skos:prefLabel "tebuthiuron"@nl .
csc:HLZCHRAMVPCKDU-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16119;
dbo:casNumber "1982-69-0";
dbo:formula "C8H5Cl2NaO3";
dbo:inchi "InChI=1S/C8H6Cl2O3.Na/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);/q;+1/p-1";
dbo:iupacName "Sodium 3,6-dichloro-2-methoxybenzoate"@en;
dbo:pubchem "16119"^^xsd:int;
dbo:smiles "COC1=C(C=CC(=C1C(=O)[O-])Cl)Cl.[Na+]";
dbp:inchikey "HLZCHRAMVPCKDU-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0002345;
skos:inScheme vlcs:chemische_stof;
skos:notation "DcbNazt";
skos:prefLabel "dicamba-natriumzout"@nl .
csc:PUVAFTRIIUSGLK-UHFFFAOYSA-M
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:18205;
dbo:casNumber "37229-18-8" , "129829-22-7" , "3033-77-0" , "51838-31-4";
dbo:formula "C6H14ClNO";
dbo:inchi "InChI=1S/C6H14NO.ClH/c1-7(2,3)4-6-5-8-6;/h6H,4-5H2,1-3H3;1H/q+1;/p-1";
dbo:iupacName "trimethyl-(oxiran-2-ylmethyl)azanium chloride"@en;
dbo:pubchem "18205"^^xsd:int;
dbo:smiles "C[N+](C)(C)CC1CO1.[Cl-]";
dbp:inchikey "PUVAFTRIIUSGLK-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0004225;
skos:inScheme vlcs:chemische_stof;
skos:notation "23epOxC3yTC1";
skos:prefLabel "2,3-epoxypropyltrimethylammoniumchloride"@nl .
csc:XFNJVKMNNVCYEK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6861;
dbo:casNumber "86-86-2" , "31093-43-3";
dbo:formula "C12H11NO";
dbo:inchi "InChI=1S/C12H11NO/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H2,13,14)";
dbo:iupacName "2-naphthalen-1-ylacetamide"@en;
dbo:pubchem "6861"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2CC(=O)N";
dbp:inchikey "XFNJVKMNNVCYEK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "21ntacAd";
skos:prefLabel "2-(1-naftyl)aceetamide"@nl .
csc:BUGYDGFZZOZRHP-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:4054;
dbo:casNumber "19982-08-2" , "51052-62-1";
dbo:formula "C12H21N";
dbo:inchi "InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3";
dbo:iupacName "3,5-dimethyladamantan-1-amine"@en;
dbo:pubchem "4054"^^xsd:int;
dbo:smiles "CC12CC3CC(C1)(CC(C3)(C2)N)C";
dbp:inchikey "BUGYDGFZZOZRHP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000469;
skos:inScheme vlcs:chemische_stof;
skos:notation "memtne";
skos:prefLabel "memantine"@nl .
csc:ZTYVMAQSHCZXLF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:101525;
dbo:casNumber "179765-69-6" , "86209-51-0";
dbo:formula "C15H12F4N4O7S";
dbo:inchi "InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)";
dbo:iupacName "methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate"@en;
dbo:pubchem "101525"^^xsd:int;
dbo:smiles "COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F";
dbp:inchikey "ZTYVMAQSHCZXLF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004705;
skos:inScheme vlcs:chemische_stof;
skos:notation "pirmsfrnC1y";
skos:prefLabel "pirimisulfuron-methyl"@nl .
csc:OKRJGUKZYSEUOY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:123480;
dbo:casNumber "39099-23-5";
dbo:formula "C7H17N";
dbo:inchi "InChI=1S/C7H17N/c1-4-5-6-8-7(2)3/h7-8H,4-6H2,1-3H3";
dbo:iupacName "N-propan-2-ylbutan-1-amine"@en;
dbo:pubchem "123480"^^xsd:int;
dbo:smiles "CCCCNC(C)C";
dbp:inchikey "OKRJGUKZYSEUOY-UHFFFAOYSA-N";
skos:altLabel "n-isopropylbutylamine"@nl;
skos:broader csc:CHEMONTID_0002228;
skos:inScheme vlcs:chemische_stof;
skos:notation "NiC3yC4yAe";
skos:prefLabel "N-isopropylbutylamine"@nl .
csc:IBSREHMXUMOFBB-MVGRHBATSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6435890;
dbo:casNumber "86753-29-9" , "71751-41-2";
dbo:formula "C95H142O28";
dbo:inchi "InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1";
dbo:iupacName "(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-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]-2'-one"@en;
dbo:pubchem "6435890"^^xsd:int;
dbo:smiles "CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O";
dbp:inchikey "IBSREHMXUMOFBB-MVGRHBATSA-N";
skos:broader csc:CHEMONTID_0000147;
skos:inScheme vlcs:chemische_stof;
skos:notation "abmtne";
skos:prefLabel "abamectine"@nl .
csc:WTKZEGDFNFYCGP-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:1048;
dbo:casNumber "53153-43-8" , "116421-36-4" , "288-13-1";
dbo:formula "C3H4N2";
dbo:inchi "InChI=1S/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)";
dbo:iupacName "1H-Pyrazole"@en;
dbo:pubchem "1048"^^xsd:int;
dbo:smiles "C1=CNN=C1";
dbp:inchikey "WTKZEGDFNFYCGP-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000087;
skos:inScheme vlcs:chemische_stof;
skos:notation "pyrzl";
skos:prefLabel "pyrazol"@nl .
csc:FNAZRRHPUDJQCJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12403;
dbo:casNumber "629-94-7";
dbo:formula "C21H44";
dbo:inchi "InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3";
dbo:iupacName "Henicosane"@en;
dbo:pubchem "12403"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCC";
dbp:inchikey "FNAZRRHPUDJQCJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C21a";
skos:prefLabel "heneicosaan"@nl .
csc:OWXJKYNZGFSVRC-NSCUHMNNSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5284364;
dbo:casNumber "16136-85-9" , "36472-34-1";
dbo:formula "C3H5Cl";
dbo:inchi "InChI=1S/C3H5Cl/c1-2-3-4/h2-3H,1H3/b3-2+";
dbo:iupacName "['1-chloroprop-1-ene', '(E)-1-chloroprop-1-ene']"@en;
dbo:pubchem "5284364"^^xsd:int;
dbo:smiles "CC=CCl";
dbp:inchikey "OWXJKYNZGFSVRC-NSCUHMNNSA-N";
skos:broader csc:CHEMONTID_0002863;
skos:inScheme vlcs:chemische_stof;
skos:notation "t1Cl1C3e";
skos:prefLabel "trans-1-chloor-1-propeen"@nl .
csc:BSYNRYMUTXBXSQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:2244;
dbo:casNumber "11126-35-5" , "50-78-2" , "26914-13-6" , "11126-37-7" , "98201-60-6" , "2349-94-2";
dbo:formula "C9H8O4";
dbo:inchi "InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)";
dbo:iupacName "2-acetyloxybenzoic acid"@en;
dbo:pubchem "2244"^^xsd:int;
dbo:smiles "CC(=O)OC1=CC=CC=C1C(=O)O";
dbp:inchikey "BSYNRYMUTXBXSQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004577;
skos:inScheme vlcs:chemische_stof;
skos:notation "asprne";
skos:prefLabel "aspirine"@nl .
csc:HLBLWEWZXPIGSM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7579;
dbo:casNumber "121509-79-3" , "101-80-4";
dbo:formula "C12H12N2O";
dbo:inchi "InChI=1S/C12H12N2O/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2";
dbo:iupacName "4-(4-aminophenoxy)aniline"@en;
dbo:pubchem "7579"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1N)OC2=CC=C(C=C2)N";
dbp:inchikey "HLBLWEWZXPIGSM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DAoDFyEtr";
skos:prefLabel "4,4'-diaminodifenylether"@nl .
csc:UISUNVFOGSJSKD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:91708;
dbo:casNumber "71422-67-8";
dbo:formula "C20H9Cl3F5N3O3";
dbo:inchi "InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)";
dbo:iupacName "N-[[3,5-dichloro-4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]carbamoyl]-2,6-difluorobenzamide"@en;
dbo:pubchem "91708"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)Cl)F";
dbp:inchikey "UISUNVFOGSJSKD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004513;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clfazrn";
skos:prefLabel "chloorfluazuron"@nl .
csc:VGKDLMBJGBXTGI-SJCJKPOMSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:68617;
dbo:casNumber "79617-96-2";
dbo:formula "C17H17Cl2N";
dbo:inchi "InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1";
dbo:iupacName "(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine"@en;
dbo:pubchem "68617"^^xsd:int;
dbo:smiles "CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl";
dbp:inchikey "VGKDLMBJGBXTGI-SJCJKPOMSA-N";
skos:broader csc:CHEMONTID_0000049;
skos:inScheme vlcs:chemische_stof;
skos:notation "sertlne";
skos:prefLabel "sertraline"@nl .
csc:TYIYMOAHACZAMQ-CQSZACIVSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:180089;
dbo:casNumber "122008-85-9";
dbo:formula "C20H20FNO4";
dbo:inchi "InChI=1S/C20H20FNO4/c1-3-4-11-24-20(23)14(2)25-16-6-8-17(9-7-16)26-19-10-5-15(13-22)12-18(19)21/h5-10,12,14H,3-4,11H2,1-2H3/t14-/m1/s1";
dbo:iupacName "butyl (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoate"@en;
dbo:pubchem "180089"^^xsd:int;
dbo:smiles "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)C#N)F";
dbp:inchikey "TYIYMOAHACZAMQ-CQSZACIVSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "cyhlfC4y";
skos:prefLabel "cyhalofop-butyl"@nl .
csc:HXGDTGSAIMULJN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:9161;
dbo:casNumber "34493-60-2" , "208-96-8";
dbo:formula "C12H8";
dbo:inchi "InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H";
dbo:iupacName "Acenaphthylene"@en;
dbo:pubchem "9161"^^xsd:int;
dbo:smiles "C1=CC2=C3C(=C1)C=CC3=CC=C2";
dbp:inchikey "HXGDTGSAIMULJN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004812;
skos:exactMatch wise:CAS_208-96-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "AcNy";
skos:prefLabel "acenaftyleen"@nl .
csc:RLMZELPHRPTNJX-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:74548;
dbo:casNumber "1807-29-0";
dbo:formula "C22H38O";
dbo:inchi "InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3";
dbo:iupacName "2,4-Dioctylphenol"@en;
dbo:pubchem "74548"^^xsd:int;
dbo:smiles "CCCCCCCCC1=CC(=C(C=C1)O)CCCCCCCC";
dbp:inchikey "RLMZELPHRPTNJX-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004646;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DC8yFol";
skos:prefLabel "2,4-dioctylfenol"@nl .
csc:DGBIGWXXNGSACT-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:2802;
dbo:casNumber "1622-61-3" , "106955-87-7";
dbo:formula "C15H10ClN3O3";
dbo:inchi "InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)";
dbo:iupacName "5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one"@en;
dbo:pubchem "2802"^^xsd:int;
dbo:smiles "C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl";
dbp:inchikey "DGBIGWXXNGSACT-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004097;
skos:inScheme vlcs:chemische_stof;
skos:notation "clonzpm";
skos:prefLabel "clonazepam"@nl .
csc:SBZXBUIDTXKZTM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8150;
dbo:casNumber "54631-70-8" , "70992-86-8" , "142939-39-7" , "111-96-6";
dbo:formula "C6H14O3";
dbo:inchi "InChI=1S/C6H14O3/c1-7-3-5-9-6-4-8-2/h3-6H2,1-2H3";
dbo:iupacName "1-METHOXY-2-(2-METHOXYETHOXY)ETHANE"@en;
dbo:pubchem "8150"^^xsd:int;
dbo:smiles "COCCOCCOC";
dbp:inchikey "SBZXBUIDTXKZTM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "bis2C1oxC2yE";
skos:prefLabel "bis(2-methoxyethyl)ether"@nl .
csc:CHHCCYVOJBBCIY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:23285;
dbo:casNumber "6848-13-1";
dbo:formula "C8H10ClN";
dbo:inchi "InChI=1S/C8H10ClN/c1-10(2)8-5-3-4-7(9)6-8/h3-6H,1-2H3";
dbo:iupacName "3-Chloro-N,N-dimethylaniline"@en;
dbo:pubchem "23285"^^xsd:int;
dbo:smiles "CN(C)C1=CC(=CC=C1)Cl";
dbp:inchikey "CHHCCYVOJBBCIY-UHFFFAOYSA-N";
skos:altLabel "3-chloor-N,N-dimethylaniline"@nl;
skos:broader csc:CHEMONTID_0003901;
skos:inScheme vlcs:chemische_stof;
skos:notation "3ClNNDC1yAn";
skos:prefLabel "3-chloor-n,n-dimethylaniline"@nl .
csc:RQNWIZPPADIBDY-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'"@nl , "VLAREM II bijlage 4.4.2"@nl , "VLAR bijl. II 2.5.8 'arseen'"@nl , "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'"@nl , "VLAR III (D3) 'AsH3'"@nl , "VLAR III (D3, diverse art) 'As'"@nl , "VLAR (D2) 'arseen'"@nl , "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'"@nl;
rdfs:seeAlso compound:5359596;
dbo:casNumber "55624-62-9" , "7440-38-2" , "39277-51-5" , "7784-42-1";
dbo:formula "As";
dbo:inchi "InChI=1S/As";
dbo:iupacName "Arsenic"@en;
dbo:pubchem "5359596"^^xsd:int;
dbo:smiles "[As]";
dbp:inchikey "RQNWIZPPADIBDY-UHFFFAOYSA-N";
skos:altLabel "arseen (As)"@nl;
skos:broader csc:CHEMONTID_0000431;
skos:definition "arseen en arseenverbindingen, uitgedrukt als arseen (As)"@nl;
skos:exactMatch wise:CAS_7440-38-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "As";
skos:prefLabel "arseen"@nl .
csc:HFZWRUODUSTPEG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:8449;
dbo:casNumber "120-83-2";
dbo:formula "C6H4Cl2O";
dbo:inchi "InChI=1S/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H";
dbo:iupacName "2,4-Dichlorophenol"@en;
dbo:pubchem "8449"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)O";
dbp:inchikey "HFZWRUODUSTPEG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:exactMatch wise:CAS_120-83-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "24DClFol";
skos:prefLabel "2,4-dichloorfenol"@nl .
csc:YNPNZTXNASCQKK-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:995;
dbo:casNumber "85-01-8";
dbo:formula "C14H10";
dbo:inchi "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H";
dbo:iupacName "Phenanthrene"@en;
dbo:pubchem "995"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC3=CC=CC=C32";
dbp:inchikey "YNPNZTXNASCQKK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000025;
skos:exactMatch wise:CAS_85-01-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "Fen";
skos:prefLabel "fenantreen"@nl .
csc:NIXOWILDQLNWCW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:6581;
dbo:casNumber "165724-08-3" , "9007-20-9" , "87913-02-8" , "79-10-7" , "71767-28-7" , "88650-89-9" , "25987-55-7" , "54182-57-9" , "125857-68-3" , "65742-16-7" , "71767-27-6" , "9003-03-6" , "39341-22-5" , "54578-44-8" , "56747-65-0" , "82446-45-5" , "51142-25-7" , "37241-23-9" , "11132-69-7" , "105913-47-1" , "59233-19-1" , "54990-82-8" , "29862-29-1" , "174594-09-3" , "101360-15-0" , "55927-87-2" , "81031-52-9" , "104922-39-6";
dbo:formula "C3H4O2";
dbo:inchi "InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)";
dbo:iupacName "prop-2-enoic acid"@en;
dbo:pubchem "6581"^^xsd:int;
dbo:smiles "C=CC(=O)O";
dbp:inchikey "NIXOWILDQLNWCW-UHFFFAOYSA-N";
skos:altLabel "2-propeenzuur"@nl , "acrylzuur"@nl;
skos:broader csc:CHEMONTID_0004451;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C3ezr";
skos:prefLabel "acrylzuur "@nl .
csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:991;
dbo:casNumber "8057-70-3" , "56-38-2" , "11111-91-4" , "110616-89-2";
dbo:formula "C10H14NO5PS";
dbo:inchi "InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3";
dbo:iupacName "diethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane"@en;
dbo:pubchem "991"^^xsd:int;
dbo:smiles "CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]";
dbp:inchikey "LCCNCVORNKJIRZ-UHFFFAOYSA-N";
skos:altLabel "parathion-ethyl"@nl;
skos:broader csc:CHEMONTID_0004748;
skos:exactMatch wise:CAS_56-38-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yprton";
skos:prefLabel "ethylparathion"@nl .
csc:ZCVAOQKBXKSDMS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11442;
dbo:casNumber "25406-24-0" , "42534-61-2" , "6385-67-7" , "22431-63-6" , "20301-61-5" , "28057-48-9" , "71119-51-2" , "23453-08-9" , "137-98-4" , "24313-23-3" , "34624-48-1" , "207562-36-5" , "71211-88-6" , "25406-25-1" , "584-79-2" , "18793-35-6" , "28991-27-7" , "28434-00-6" , "25406-22-8" , "84030-86-4" , "22467-86-3" , "22556-34-9" , "18877-88-8" , "3972-20-1" , "6385-68-8" , "8018-12-0";
dbo:formula "C19H26O3";
dbo:inchi "InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3";
dbo:iupacName "(2-methyl-4-oxo-3-prop-2-enyl-1-cyclopent-2-enyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate"@en;
dbo:pubchem "11442"^^xsd:int;
dbo:smiles "CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC=C";
dbp:inchikey "ZCVAOQKBXKSDMS-UHFFFAOYSA-N";
skos:altLabel "allethrin"@nl;
skos:broader csc:CHEMONTID_0001461;
skos:inScheme vlcs:chemische_stof;
skos:notation "dtalltn" , "alltn";
skos:prefLabel "d-trans-allethrin"@nl .
csc:LQZZUXJYWNFBMV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8193;
dbo:casNumber "1322-35-6" , "8014-32-2" , "8032-08-4" , "8032-10-8" , "68855-55-0" , "112-53-8" , "8032-09-5" , "68551-07-5";
dbo:formula "C12H26O";
dbo:inchi "InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3";
dbo:iupacName "dodecan-1-ol"@en;
dbo:pubchem "8193"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCO";
dbp:inchikey "LQZZUXJYWNFBMV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001334;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C12ol";
skos:prefLabel "1-dodecanol"@nl .
csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:16553;
dbo:casNumber "2163-68-0";
dbo:formula "C8H15N5O";
dbo:inchi "InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)";
dbo:iupacName "4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one"@en;
dbo:pubchem "16553"^^xsd:int;
dbo:smiles "CCNC1=NC(=O)N=C(N1)NC(C)C";
dbp:inchikey "NFMIMWNQWAWNDW-UHFFFAOYSA-N";
skos:altLabel "2-hydroxy-atrazine"@nl;
skos:broader csc:CHEMONTID_0004105;
skos:exactMatch wise:CAS_2163-68-0;
skos:inScheme vlcs:chemische_stof;
skos:notation "2HOxatzne";
skos:prefLabel "2-hydroxyatrazine"@nl .
csc:ULBXWWGWDPVHAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:16073;
dbo:casNumber "1967-16-4";
dbo:formula "C11H10ClNO2";
dbo:inchi "InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)";
dbo:iupacName "but-3-yn-2-yl N-(3-chlorophenyl)carbamate"@en;
dbo:pubchem "16073"^^xsd:int;
dbo:smiles "CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl";
dbp:inchikey "ULBXWWGWDPVHAO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "Clbfm";
skos:prefLabel "chloorbufam"@nl .
csc:DMEDNTFWIHCBRK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8368;
dbo:casNumber "118-69-4";
dbo:formula "C7H6Cl2";
dbo:inchi "InChI=1S/C7H6Cl2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3";
dbo:iupacName "1,3-dichloro-2-methylbenzene"@en;
dbo:pubchem "8368"^^xsd:int;
dbo:smiles "CC1=C(C=CC=C1Cl)Cl";
dbp:inchikey "DMEDNTFWIHCBRK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "26DClTol";
skos:prefLabel "2,6-dichloortolueen"@nl .
csc:PWVKJRSRVJTHTR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:23971;
dbo:casNumber "7440-40-6";
dbo:formula "Bk";
dbo:inchi "InChI=1S/Bk";
dbo:iupacName "BERKELIUM"@en;
dbo:pubchem "23971"^^xsd:int;
dbo:smiles "[Bk]";
dbp:inchikey "PWVKJRSRVJTHTR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Bk";
skos:prefLabel "berkelium"@nl .
csc:HRYZWHHZPQKTII-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6337;
dbo:casNumber "68909-11-5" , "75-00-3" , "68583-57-3" , "16520-13-1" , "68411-72-3";
dbo:formula "C2H5Cl";
dbo:inchi "InChI=1S/C2H5Cl/c1-2-3/h2H2,1H3";
dbo:iupacName "Chloroethane"@en;
dbo:pubchem "6337"^^xsd:int;
dbo:smiles "CCCl";
dbp:inchikey "HRYZWHHZPQKTII-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "ClC2a";
skos:prefLabel "chloorethaan"@nl .
csc:YZIYKJHYYHPJIB-UUPCJSQJSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:29089;
dbo:casNumber "21293-24-3" , "52196-45-9" , "23289-58-9" , "150621-85-5" , "52387-19-6" , "105791-72-8" , "82432-16-4" , "51365-13-0" , "60042-57-1" , "60404-86-6" , "40330-16-3" , "151498-43-0" , "124973-71-3" , "12068-31-4" , "18472-51-0" , "14007-07-9";
dbo:formula "C34H54Cl2N10O14";
dbo:inchi "InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1";
dbo:iupacName "(1E)-2-[6-[[amino-[[amino-[(4-chlorophenyl)amino]methylidene]amino]methylidene]amino]hexyl]-1-[amino-[(4-chlorophenyl)amino]methylidene]guanidine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid"@en;
dbo:pubchem "29089"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)O.C(C(C(C(C(C(=O)O)O)O)O)O)O";
dbp:inchikey "YZIYKJHYYHPJIB-UUPCJSQJSA-N";
skos:broader csc:CHEMONTID_0000215;
skos:inScheme vlcs:chemische_stof;
skos:notation "clhxdngcnt";
skos:prefLabel "chloorhexidinegluconaat"@nl .
csc:PFRYFZZSECNQOL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7340;
dbo:casNumber "28676-13-3" , "41576-40-3" , "97-56-3";
dbo:formula "C14H15N3";
dbo:inchi "InChI=1S/C14H15N3/c1-10-5-3-4-6-14(10)17-16-12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3";
dbo:iupacName "2-methyl-4-(2-methylphenyl)diazenylaniline"@en;
dbo:pubchem "7340"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C";
dbp:inchikey "PFRYFZZSECNQOL-UHFFFAOYSA-N";
skos:altLabel "c.i. solvent yellow 3"@nl;
skos:broader csc:CHEMONTID_0003370;
skos:inScheme vlcs:chemische_stof;
skos:notation "cisyw3";
skos:prefLabel "C.I. Solvent Yellow 3"@nl .
csc:JOXIMZWYDAKGHI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6101;
dbo:casNumber "210357-81-6" , "402-47-1" , "100901-72-2" , "156627-46-2" , "25231-46-3" , "114213-96-6" , "128739-80-0" , "144647-92-7" , "126033-27-0" , "104-15-4";
dbo:formula "C7H8O3S";
dbo:inchi "InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)";
dbo:iupacName "4-Methylbenzenesulfonic acid"@en;
dbo:pubchem "6101"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)S(=O)(=O)O";
dbp:inchikey "JOXIMZWYDAKGHI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003278;
skos:inScheme vlcs:chemische_stof;
skos:notation "pTolsfzr";
skos:prefLabel "p-tolueensulfonzuur"@nl .
csc:QAPVYZRWKDXNDK-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7569;
dbo:casNumber "26603-23-6" , "101-67-7" , "1336-54-5";
dbo:formula "C28H43N";
dbo:inchi "InChI=1S/C28H43N/c1-3-5-7-9-11-13-15-25-17-21-27(22-18-25)29-28-23-19-26(20-24-28)16-14-12-10-8-6-4-2/h17-24,29H,3-16H2,1-2H3";
dbo:iupacName "4-Octyl-N-(4-octylphenyl)aniline"@en;
dbo:pubchem "7569"^^xsd:int;
dbo:smiles "CCCCCCCCC1=CC=C(C=C1)NC2=CC=C(C=C2)CCCCCCCC";
dbp:inchikey "QAPVYZRWKDXNDK-UHFFFAOYSA-N";
skos:altLabel "4-octyl-n-(4-octylfenyl)-benzeenamine"@nl;
skos:broader csc:CHEMONTID_0000284;
skos:inScheme vlcs:chemische_stof;
skos:notation "4C8yN4C8yFyB";
skos:prefLabel "4-octyl-N-(4-octylfenyl)-benzeenamine"@nl .
csc:UIHCLUNTQKBZGK-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:11262;
dbo:casNumber "565-61-7";
dbo:formula "C6H12O";
dbo:inchi "InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3";
dbo:iupacName "3-METHYLPENTAN-2-ONE"@en;
dbo:pubchem "11262"^^xsd:int;
dbo:smiles "CCC(C)C(=O)C";
dbp:inchikey "UIHCLUNTQKBZGK-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000118;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C1y2C5on";
skos:prefLabel "3-methyl-2-pentanon"@nl .
csc:XEFQLINVKFYRCS-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5564;
dbo:casNumber "3380-34-5" , "112099-35-1" , "88032-08-0";
dbo:formula "C12H7Cl3O2";
dbo:inchi "InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H";
dbo:iupacName "5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL"@en;
dbo:pubchem "5564"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl";
dbp:inchikey "XEFQLINVKFYRCS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tcsn";
skos:prefLabel "triclosan"@nl .
csc:VQTVFIMEENGCJA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:137735;
dbo:casNumber "2820-37-3";
dbo:formula "C5H8N2";
dbo:inchi "InChI=1S/C5H8N2/c1-4-3-6-7-5(4)2/h3H,1-2H3,(H,6,7)";
dbo:iupacName "3,4-dimethyl-2H-pyrazole"@en;
dbo:pubchem "137735"^^xsd:int;
dbo:smiles "CC1=C(NN=C1)C";
dbp:inchikey "VQTVFIMEENGCJA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000087;
skos:inScheme vlcs:chemische_stof;
skos:notation "34DC1yprzl";
skos:prefLabel "3,4-dimethylpyrazol"@nl .
csc:YXFVVABEGXRONW-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2"@nl;
rdfs:seeAlso compound:1140;
dbo:casNumber "3101-08-4" , "50643-04-4" , "108-88-3";
dbo:formula "C7H8";
dbo:inchi "InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3";
dbo:iupacName "methylbenzene"@en;
dbo:pubchem "1140"^^xsd:int;
dbo:smiles "CC1=CC=CC=C1";
dbp:inchikey "YXFVVABEGXRONW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001091;
skos:exactMatch wise:CAS_108-88-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "Tol";
skos:prefLabel "tolueen"@nl .
csc:WSJBSKRPKADYRQ-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:72666;
dbo:casNumber "1672-58-8";
dbo:formula "C12H13N3O2";
dbo:inchi "InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)";
dbo:iupacName "N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)formamide"@en;
dbo:pubchem "72666"^^xsd:int;
dbo:smiles "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=O";
dbp:inchikey "WSJBSKRPKADYRQ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "4formAoatprn";
skos:prefLabel "4-formylaminoantipyrine"@nl .
csc:GBXSMTUPTTWBMN-XIRDDKMYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5388962;
dbo:casNumber "75847-73-3";
dbo:formula "C20H28N2O5";
dbo:inchi "InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1";
dbo:iupacName "(2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid"@en;
dbo:pubchem "5388962"^^xsd:int;
dbo:smiles "CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CCCC2C(=O)O";
dbp:inchikey "GBXSMTUPTTWBMN-XIRDDKMYSA-N";
skos:broader csc:CHEMONTID_0004830;
skos:inScheme vlcs:chemische_stof;
skos:notation "enlpl";
skos:prefLabel "enalapril"@nl .
csc:LQERIDTXQFOHKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12401;
dbo:casNumber "629-92-5";
dbo:formula "C19H40";
dbo:inchi "InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3";
dbo:iupacName "NONADECANE"@en;
dbo:pubchem "12401"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCC";
dbp:inchikey "LQERIDTXQFOHKA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C19a";
skos:prefLabel "nonadecaan"@nl .
csc:RJKFOVLPORLFTN-LEKSSAKUSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5994;
dbo:casNumber "57-83-0" , "8023-13-0" , "257630-50-5" , "753497-20-0" , "8012-32-6";
dbo:formula "C21H30O2";
dbo:inchi "InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1";
dbo:iupacName "(8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one"@en;
dbo:pubchem "5994"^^xsd:int;
dbo:smiles "CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C";
dbp:inchikey "RJKFOVLPORLFTN-LEKSSAKUSA-N";
skos:broader csc:CHEMONTID_0001468;
skos:inScheme vlcs:chemische_stof;
skos:notation "progtrn";
skos:prefLabel "progesteron"@nl .
csc:SESFRYSPDFLNCH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:2345;
dbo:casNumber "120-51-4";
dbo:formula "C14H12O2";
dbo:inchi "InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2";
dbo:iupacName "Phenylmethyl benzoate"@en;
dbo:pubchem "2345"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2";
dbp:inchikey "SESFRYSPDFLNCH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "benzbzat";
skos:prefLabel "benzylbenzoaat"@nl .
csc:KZUNJOHGWZRPMI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:23951;
dbo:casNumber "7440-19-9" , "110123-52-9";
dbo:formula "Sm";
dbo:inchi "InChI=1S/Sm";
dbo:iupacName "SAMARIUM"@en;
dbo:pubchem "23951"^^xsd:int;
dbo:smiles "[Sm]";
dbp:inchikey "KZUNJOHGWZRPMI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "Sm";
skos:prefLabel "samarium"@nl .
csc:XMQFTWRPUQYINF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:54960;
dbo:casNumber "104466-83-3" , "83055-99-6";
dbo:formula "C16H18N4O7S";
dbo:inchi "InChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)";
dbo:iupacName "methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoylmethyl]benzoate"@en;
dbo:pubchem "54960"^^xsd:int;
dbo:smiles "COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC";
dbp:inchikey "XMQFTWRPUQYINF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001350;
skos:inScheme vlcs:chemische_stof;
skos:notation "bensfrnC1y";
skos:prefLabel "bensulfuron-methyl"@nl .
csc:XLLIQLLCWZCATF-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8054;
dbo:casNumber "110-49-6" , "32718-56-2";
dbo:formula "C5H10O3";
dbo:inchi "InChI=1S/C5H10O3/c1-5(6)8-4-3-7-2/h3-4H2,1-2H3";
dbo:iupacName "2-Methoxyethyl acetate"@en;
dbo:pubchem "8054"^^xsd:int;
dbo:smiles "CC(=O)OCCOC";
dbp:inchikey "XLLIQLLCWZCATF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001238;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1oxC2yactt";
skos:prefLabel "2-methoxyethylacetaat"@nl .
csc:CDNNKGWZSNSADW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:519601;
dbo:casNumber "18772-36-6";
dbo:formula "C20H60O10Si10";
dbo:inchi "InChI=1S/C20H60O10Si10/c1-31(2)21-32(3,4)23-34(7,8)25-36(11,12)27-38(15,16)29-40(19,20)30-39(17,18)28-37(13,14)26-35(9,10)24-33(5,6)22-31/h1-20H3";
dbo:iupacName "2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20-icosamethyl-1,3,5,7,9,11,13,15,17,19-decaoxa-2,4,6,8,10,12,14,16,18,20-decasilacycloicosane"@en;
dbo:pubchem "519601"^^xsd:int;
dbo:smiles "C[Si]1(O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](O1)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)C";
dbp:inchikey "CDNNKGWZSNSADW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004445;
skos:inScheme vlcs:chemische_stof;
skos:notation "C20aC1yccDcs";
skos:prefLabel "eicosamethylcyclodecasiloxaan"@nl .
csc:QJAIOCKFIORVFU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:7491;
dbo:casNumber "100-23-2" , "508191-95-5";
dbo:formula "C8H10N2O2";
dbo:inchi "InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3";
dbo:iupacName "N,N-Dimethyl-4-nitroaniline"@en;
dbo:pubchem "7491"^^xsd:int;
dbo:smiles "CN(C)C1=CC=C(C=C1)[N+](=O)[O-]";
dbp:inchikey "QJAIOCKFIORVFU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "4NO2DC1yAn";
skos:prefLabel "4-nitrodimethylaniline"@nl .
csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl;
rdfs:seeAlso compound:51720;
dbo:casNumber "72918-21-9";
dbo:formula "C12H2Cl6O";
dbo:inchi "InChI=1S/C12H2Cl6O/c13-3-1-5-7(11(17)9(3)15)8-6(19-5)2-4(14)10(16)12(8)18/h1-2H";
dbo:iupacName "1,2,3,7,8,9-HEXACHLORODIBENZOFURAN"@en;
dbo:pubchem "51720"^^xsd:int;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl";
dbp:inchikey "PYUSJFJVDVSXIU-UHFFFAOYSA-N";
skos:altLabel "1,2,3,7,8,9-hexachloordibenzofuraan"@nl , " 1,2,3,7,8,9-hexachloordibenzofuraan"@nl , "1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)"@nl;
skos:broader csc:CHEMONTID_0003029;
skos:exactMatch wise:CAS_72918-21-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDF124";
skos:prefLabel "1,2,3,7,8,9-hexachloordibenzofuran"@nl .
csc:REYZXWIIUPKFTI-RXMQYKEDSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:7577875;
dbo:casNumber "1438-14-8";
dbo:formula "C5H10O";
dbo:inchi "InChI=1S/C5H10O/c1-4(2)5-3-6-5/h4-5H,3H2,1-2H3/t5-/m1/s1";
dbo:iupacName "(2S)-2-propan-2-yloxirane"@en;
dbo:pubchem "7577875"^^xsd:int;
dbo:smiles "CC(C)C1CO1";
dbp:inchikey "REYZXWIIUPKFTI-RXMQYKEDSA-N";
skos:broader csc:CHEMONTID_0000159;
skos:inScheme vlcs:chemische_stof;
skos:notation "12epOx3C1yC4";
skos:prefLabel "1,2-epoxy-3-methylbutaan"@nl .
csc:HZAXFHJVJLSVMW-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:700;
dbo:casNumber "9007-33-4" , "141-43-5";
dbo:formula "C2H7NO";
dbo:inchi "InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2";
dbo:iupacName "2-aminoethanol"@en;
dbo:pubchem "700"^^xsd:int;
dbo:smiles "C(CO)N";
dbp:inchikey "HZAXFHJVJLSVMW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001897;
skos:inScheme vlcs:chemische_stof;
skos:notation "MC2olAe";
skos:prefLabel "monoethanolamine"@nl .
csc:XPFVYQJUAUNWIW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:comment "VLAR II bijl. 4.4.2 "@nl;
rdfs:seeAlso compound:7361;
dbo:casNumber "98-00-0" , "93793-62-5" , "25212-86-6" , "88161-36-8";
dbo:formula "C5H6O2";
dbo:inchi "InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2";
dbo:iupacName "furan-2-ylmethanol"@en;
dbo:pubchem "7361"^^xsd:int;
dbo:smiles "C1=COC(=C1)CO";
dbp:inchikey "XPFVYQJUAUNWIW-UHFFFAOYSA-N";
skos:altLabel "furfurylalcohol"@nl , "2-furaanmethanol"@nl;
skos:broader csc:CHEMONTID_0004144;
skos:inScheme vlcs:chemische_stof;
skos:notation "2furC1ol";
skos:prefLabel "furfurylalcohol "@nl .
csc:NTAHCMPOMKHKEU-AATRIKPKSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:3034435;
dbo:casNumber "30864-28-9" , "62610-77-9";
dbo:formula "C7H13O5PS";
dbo:inchi "InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+";
dbo:iupacName "['methyl 3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate', 'methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate']"@en;
dbo:pubchem "3034435"^^xsd:int;
dbo:smiles "CC(=COP(=S)(OC)OC)C(=O)OC";
dbp:inchikey "NTAHCMPOMKHKEU-AATRIKPKSA-N";
skos:altLabel "trans-methacrifos"@nl;
skos:broader csc:CHEMONTID_0003384;
skos:inScheme vlcs:chemische_stof;
skos:notation "methcfs" , "tmethcfs";
skos:prefLabel "methacrifos"@nl .
csc:RUFPHBVGCFYCNW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8640;
dbo:casNumber "134-32-7" , "12262-09-8" , "25168-10-9";
dbo:formula "C10H9N";
dbo:inchi "InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2";
dbo:iupacName "naphthalen-1-amine"@en;
dbo:pubchem "8640"^^xsd:int;
dbo:smiles "C1=CC=C2C(=C1)C=CC=C2N";
dbp:inchikey "RUFPHBVGCFYCNW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000023;
skos:inScheme vlcs:chemische_stof;
skos:notation "1AoNaf";
skos:prefLabel "1-aminonaftaleen"@nl .
csc:UXVMQQNJUSDDNG-UHFFFAOYSA-L
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:24854;
dbo:casNumber "139468-93-2" , "14639-81-7" , "10043-52-4";
dbo:formula "CaCl2";
dbo:inchi "InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2";
dbo:iupacName "Calcium dichloride"@en;
dbo:pubchem "24854"^^xsd:int;
dbo:smiles "[Cl-].[Cl-].[Ca+2]";
dbp:inchikey "UXVMQQNJUSDDNG-UHFFFAOYSA-L";
skos:broader csc:CHEMONTID_0000568;
skos:inScheme vlcs:chemische_stof;
skos:notation "CaCl2";
skos:prefLabel "calciumchloride"@nl .
csc:DVWSXZIHSUZZKJ-YSTUJMKBSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:5319706;
dbo:casNumber "301-00-8";
dbo:formula "C19H32O2";
dbo:inchi "InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h4-5,7-8,10-11H,3,6,9,12-18H2,1-2H3/b5-4-,8-7-,11-10-";
dbo:iupacName "methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate"@en;
dbo:pubchem "5319706"^^xsd:int;
dbo:smiles "CCC=CCC=CCC=CCCCCCCCC(=O)OC";
dbp:inchikey "DVWSXZIHSUZZKJ-YSTUJMKBSA-N";
skos:broader csc:CHEMONTID_0000504;
skos:inScheme vlcs:chemische_stof;
skos:notation "cC18aTzrC1yE";
skos:prefLabel "cis-9,12,15-octadecatrieenzuur methylester"@nl .
csc:WUAPFZMCVAUBPE-IGMARMGPSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:161105;
dbo:casNumber "14998-63-1";
dbo:formula "Re";
dbo:inchi "InChI=1S/Re/i1+0";
dbo:iupacName "rhenium-186"@en;
dbo:pubchem "161105"^^xsd:int;
dbo:smiles "[Re]";
dbp:inchikey "WUAPFZMCVAUBPE-IGMARMGPSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Re186";
skos:prefLabel "rhenium 186"@nl .
csc:JVSWJIKNEAIKJW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:11594;
dbo:casNumber "592-27-8" , "1281-99-8" , "11070-05-6" , "26635-64-3" , "28777-67-5";
dbo:formula "C8H18";
dbo:inchi "InChI=1S/C8H18/c1-4-5-6-7-8(2)3/h8H,4-7H2,1-3H3";
dbo:iupacName "2-Methylheptane"@en;
dbo:pubchem "11594"^^xsd:int;
dbo:smiles "CCCCCC(C)C";
dbp:inchikey "JVSWJIKNEAIKJW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004620;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yC7a";
skos:prefLabel "2-methylheptaan"@nl .
csc:BTGRAWJCKBQKAO-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:8128;
dbo:casNumber "68511-79-5" , "68411-90-5" , "111-69-3";
dbo:formula "C6H8N2";
dbo:inchi "InChI=1S/C6H8N2/c7-5-3-1-2-4-6-8/h1-4H2";
dbo:iupacName "Hexanedinitrile"@en;
dbo:pubchem "8128"^^xsd:int;
dbo:smiles "C(CCC#N)CC#N";
dbp:inchikey "BTGRAWJCKBQKAO-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000362;
skos:inScheme vlcs:chemische_stof;
skos:notation "adpntl";
skos:prefLabel "adiponitril"@nl .
csc:LJBNHONKIDIOPD-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:187696;
dbo:casNumber "89197-69-3";
dbo:formula "C12H27O5P";
dbo:inchi "InChI=1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3";
dbo:iupacName "dibutyl 3-hydroxybutyl phosphate"@en;
dbo:pubchem "187696"^^xsd:int;
dbo:smiles "CCCCOP(=O)(OCCCC)OCCC(C)O";
dbp:inchikey "LJBNHONKIDIOPD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003460;
skos:inScheme vlcs:chemische_stof;
skos:notation "DC4y3OHC4yPO";
skos:prefLabel "dibutyl-3-hydroxybutylfosfaat"@nl .
csc:FYFDQJRXFWGIBS-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:7492;
dbo:casNumber "100-25-4";
dbo:formula "C6H4N2O4";
dbo:inchi "InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H";
dbo:iupacName "1,4-Dinitrobenzene"@en;
dbo:pubchem "7492"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "FYFDQJRXFWGIBS-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "14DNO2Ben";
skos:prefLabel "1,4-dinitrobenzeen"@nl .
csc:WZHHYIOUKQNLQM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:12442;
dbo:casNumber "110471-67-5" , "632-58-6";
dbo:formula "C8H2Cl4O4";
dbo:inchi "InChI=1S/C8H2Cl4O4/c9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11/h(H,13,14)(H,15,16)";
dbo:iupacName "3,4,5,6-tetrachlorophthalic acid"@en;
dbo:pubchem "12442"^^xsd:int;
dbo:smiles "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O)C(=O)O";
dbp:inchikey "WZHHYIOUKQNLQM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003097;
skos:inScheme vlcs:chemische_stof;
skos:notation "tT4ClFtzr";
skos:prefLabel "tetrachloorftaalzuur"@nl .
csc:MCCACAIVAXEFAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:68553;
dbo:casNumber "75319-48-1" , "22832-87-7";
dbo:formula "C18H15Cl4N3O4";
dbo:inchi "InChI=1S/C18H14Cl4N2O.HNO3/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11,18H,9-10H2;(H,2,3,4)";
dbo:iupacName "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole; nitric acid"@en;
dbo:pubchem "68553"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]";
dbp:inchikey "MCCACAIVAXEFAL-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002542;
skos:inScheme vlcs:chemische_stof;
skos:notation "micnzNO3";
skos:prefLabel "miconazolnitraat"@nl .
csc:YWKJNRNSJKEFMK-KJXIDEHUSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:9571084;
dbo:casNumber "84957-30-2";
dbo:formula "C23H24N6O5S2";
dbo:inchi "InChI=1S/C23H24N6O5S2/c1-34-27-16(14-11-36-23(24)25-14)19(30)26-17-20(31)29-18(22(32)33)13(10-35-21(17)29)9-28-8-4-6-12-5-2-3-7-15(12)28/h4,6,8,11,17,21H,2-3,5,7,9-10H2,1H3,(H3-,24,25,26,30,32,33)/b27-16+/t17-,21-/m1/s1";
dbo:iupacName "(6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-3-(5,6,7,8-tetrahydroquinolin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate"@en;
dbo:pubchem "9571084"^^xsd:int;
dbo:smiles "CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC5=C4CCCC5)C(=O)[O-]";
dbp:inchikey "YWKJNRNSJKEFMK-KJXIDEHUSA-N";
skos:broader csc:CHEMONTID_0000173;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "cefquinome"@nl .
csc:SLXKOJJOQWFEFD-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:564;
dbo:casNumber "1319-82-0" , "60-32-2" , "93208-38-9" , "87867-96-7";
dbo:formula "C6H13NO2";
dbo:inchi "InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)";
dbo:iupacName "6-aminohexanoic acid"@en;
dbo:pubchem "564"^^xsd:int;
dbo:smiles "C(CCC(=O)O)CCN";
dbp:inchikey "SLXKOJJOQWFEFD-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003086;
skos:inScheme vlcs:chemische_stof;
skos:notation "6AoC6azr";
skos:prefLabel "6-aminohexaanzuur"@nl .
csc:VBLXCTYLWZJBKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:6922;
dbo:casNumber "88-17-5";
dbo:formula "C7H6F3N";
dbo:inchi "InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2";
dbo:iupacName "2-(Trifluoromethyl)aniline"@en;
dbo:pubchem "6922"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)C(F)(F)F)N";
dbp:inchikey "VBLXCTYLWZJBKA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004551;
skos:inScheme vlcs:chemische_stof;
skos:notation "2TFC1yAn";
skos:prefLabel "2-trifluormethylaniline"@nl .
csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAR II+ bijlagen"@nl , "VLAR III (D3, diverse art) 'dioxinen en furanen'"@nl;
rdfs:seeAlso compound:37270;
dbo:casNumber "35822-46-9";
dbo:formula "C12HCl7O2";
dbo:inchi "InChI=1S/C12HCl7O2/c13-2-1-3-10(7(17)4(2)14)21-12-9(19)6(16)5(15)8(18)11(12)20-3/h1H";
dbo:iupacName "1,2,3,4,6,7,8-heptachlorooxanthrene"@en;
dbo:pubchem "37270"^^xsd:int;
dbo:smiles "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl";
dbp:inchikey "WCLNVRQZUKYVAI-UHFFFAOYSA-N";
skos:altLabel "1,2,3,4,6,7,8-heptachloordibenzodioxine (hpcdd)"@nl , " 1,2,3,4,6,7,8-heptachloordibenzodioxine"@nl , "1,2,3,4,6,7,8-heptachloordibenzo-p-dioxine"@nl , "1,2,3,4,6,7,8-heptachloordibenzodioxine"@nl;
skos:broader csc:CHEMONTID_0000420;
skos:exactMatch wise:CAS_35822-46-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCDD73";
skos:prefLabel "1,2,3,4,6,7,8-heptachloordibenzo-para-dioxine"@nl .
csc:ZKHQWZAMYRWXGA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:238;
dbo:casNumber "56-65-5";
dbo:formula "C10H16N5O13P3";
dbo:inchi "InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)";
dbo:iupacName "[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate"@en;
dbo:pubchem "238"^^xsd:int;
dbo:smiles "C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N";
dbp:inchikey "ZKHQWZAMYRWXGA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001619;
skos:inScheme vlcs:chemische_stof;
skos:notation "ATP";
skos:prefLabel "adenosine-trifosfaat"@nl .
csc:MTBYTWZDRVOMBR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:13428;
dbo:casNumber "879-39-0";
dbo:formula "C6HCl4NO2";
dbo:inchi "InChI=1S/C6HCl4NO2/c7-2-1-3(11(12)13)5(9)6(10)4(2)8/h1H";
dbo:iupacName "1,2,3,4-Tetrachloro-5-nitrobenzene"@en;
dbo:pubchem "13428"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)[N+](=O)[O-]";
dbp:inchikey "MTBYTWZDRVOMBR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "2,3,4,5-tetrachloornitrobenzeen"@nl .
csc:SUJUOAZFECLBOA-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12411;
dbo:casNumber "630-05-7";
dbo:formula "C33H68";
dbo:inchi "InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3";
dbo:iupacName "Tritriacontane"@en;
dbo:pubchem "12411"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC";
dbp:inchikey "SUJUOAZFECLBOA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002500;
skos:inScheme vlcs:chemische_stof;
skos:notation "C33a";
skos:prefLabel "tritriacontaan"@nl .
csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13618;
dbo:casNumber "933-75-5";
dbo:formula "C6H3Cl3O";
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H";
dbo:iupacName "2,3,6-TRICHLOROPHENOL"@en;
dbo:pubchem "13618"^^xsd:int;
dbo:smiles "C1=CC(=C(C(=C1Cl)O)Cl)Cl";
dbp:inchikey "XGCHAIDDPMFRLJ-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002771;
skos:exactMatch wise:CAS_933-75-5;
skos:inScheme vlcs:chemische_stof;
skos:notation "236TClFol";
skos:prefLabel "2,3,6-trichloorfenol"@nl .
csc:IYZWUWBAFUBNCH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:36342;
dbo:casNumber "33146-45-1";
dbo:formula "C12H8Cl2";
dbo:inchi "InChI=1S/C12H8Cl2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8H";
dbo:iupacName "1,3-dichloro-2-phenylbenzene"@en;
dbo:pubchem "36342"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=C(C=CC=C2Cl)Cl";
dbp:inchikey "IYZWUWBAFUBNCH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003030;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB10";
skos:prefLabel "2,6-dichloorbifenyl"@nl .
csc:KJTLSVCANCCWHF-NJFSPNSNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:104749;
dbo:casNumber "13968-53-1";
dbo:formula "Ru";
dbo:inchi "InChI=1S/Ru/i1+2";
dbo:iupacName "ruthenium-103"@en;
dbo:pubchem "104749"^^xsd:int;
dbo:smiles "[Ru]";
dbp:inchikey "KJTLSVCANCCWHF-NJFSPNSNSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Ru103";
skos:prefLabel "ruthenium 103"@nl .
csc:RYFZYYUIAZYQLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:11666;
dbo:casNumber "594-42-3" , "20434-91-7";
dbo:formula "CCl4S";
dbo:inchi "InChI=1S/CCl4S/c2-1(3,4)6-5";
dbo:iupacName "trichloromethyl thiohypochlorite"@en;
dbo:pubchem "11666"^^xsd:int;
dbo:smiles "C(SCl)(Cl)(Cl)Cl";
dbp:inchikey "RYFZYYUIAZYQLC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004160;
skos:inScheme vlcs:chemische_stof;
skos:notation "perClC1ymctn";
skos:prefLabel "perchloormethylmercaptan"@nl .
csc:YATIGPZCMOYEGE-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:37840;
dbo:casNumber "37853-59-1" , "59764-36-2";
dbo:formula "C14H8Br6O2";
dbo:inchi "InChI=1S/C14H8Br6O2/c15-7-3-9(17)13(10(18)4-7)21-1-2-22-14-11(19)5-8(16)6-12(14)20/h3-6H,1-2H2";
dbo:iupacName "1,3,5-tribromo-2-[2-(2,4,6-tribromophenoxy)ethoxy]benzene"@en;
dbo:pubchem "37840"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Br)OCCOC2=C(C=C(C=C2Br)Br)Br)Br)Br";
dbp:inchikey "YATIGPZCMOYEGE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002341;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "bis(tribroomfenoxy)-ethaan"@nl .
csc:JZQKTMZYLHNFPL-BLHCBFLLSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:5283349;
dbo:casNumber "25152-84-5" , "2363-88-4" , "30551-18-9";
dbo:formula "C10H16O";
dbo:inchi "InChI=1S/C10H16O/c1-2-3-4-5-6-7-8-9-10-11/h6-10H,2-5H2,1H3/b7-6+,9-8+";
dbo:iupacName "['deca-2,4-dienal', '(2E,4E)-deca-2,4-dienal']"@en;
dbo:pubchem "5283349"^^xsd:int;
dbo:smiles "CCCCCC=CC=CC=O";
dbp:inchikey "JZQKTMZYLHNFPL-BLHCBFLLSA-N";
skos:broader csc:CHEMONTID_0002229;
skos:inScheme vlcs:chemische_stof;
skos:notation "2t4tDcdeal";
skos:prefLabel "2-trans-4-trans-decadienal"@nl .
csc:NOQGZXFMHARMLW-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:15331;
dbo:casNumber "74913-15-8" , "1861-26-3" , "1596-84-5";
dbo:formula "C6H12N2O3";
dbo:inchi "InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11)";
dbo:iupacName "4-(2,2-dimethylhydrazinyl)-4-oxobutanoic acid"@en;
dbo:pubchem "15331"^^xsd:int;
dbo:smiles "CN(C)NC(=O)CCC(=O)O";
dbp:inchikey "NOQGZXFMHARMLW-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000333;
skos:inScheme vlcs:chemische_stof;
skos:notation "damnzde";
skos:prefLabel "daminozide"@nl .
csc:JISACBWYRJHSMG-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5859;
dbo:casNumber "52-85-7";
dbo:formula "C10H16NO5PS2";
dbo:inchi "InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3";
dbo:iupacName "4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide"@en;
dbo:pubchem "5859"^^xsd:int;
dbo:smiles "CN(C)S(=O)(=O)C1=CC=C(C=C1)OP(=S)(OC)OC";
dbp:inchikey "JISACBWYRJHSMG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004748;
skos:inScheme vlcs:chemische_stof;
skos:notation "famfr";
skos:prefLabel "famfur"@nl .
csc:RIFGWPKJUGCATF-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:10928;
dbo:casNumber "541-41-3" , "52803-29-9";
dbo:formula "C3H5ClO2";
dbo:inchi "InChI=1S/C3H5ClO2/c1-2-6-3(4)5/h2H2,1H3";
dbo:iupacName "ETHYL CHLOROFORMATE"@en;
dbo:pubchem "10928"^^xsd:int;
dbo:smiles "CCOC(=O)Cl";
dbp:inchikey "RIFGWPKJUGCATF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000364;
skos:inScheme vlcs:chemische_stof;
skos:notation "C2yClfmt";
skos:prefLabel "ethyl chloorformaat"@nl .
csc:LOCHFZBWPCLPAN-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:10560;
dbo:casNumber "91840-99-2" , "513-53-1";
dbo:formula "C4H10S";
dbo:inchi "InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3";
dbo:iupacName "butane-2-thiol"@en;
dbo:pubchem "10560"^^xsd:int;
dbo:smiles "CCC(C)S";
dbp:inchikey "LOCHFZBWPCLPAN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001212;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C4atol";
skos:prefLabel "2-butaanthiol"@nl .
csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:24722;
dbo:casNumber "8000-97-3" , "34624-53-8" , "8058-73-9" , "8065-48-3";
dbo:formula "C16H38O6P2S4";
dbo:inchi "InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3";
dbo:iupacName "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane; 1-(2-diethoxyphosphorylsulfanylethylsulfanyl)ethane"@en;
dbo:pubchem "24722"^^xsd:int;
dbo:smiles "CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC";
dbp:inchikey "FAXIJTUDSBIMHY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003384;
skos:exactMatch wise:CAS_8065-48-3;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "demeton"@nl .
csc:UMNKXPULIDJLSU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6370;
dbo:casNumber "75-43-4" , "39289-28-6";
dbo:formula "CHCl2F";
dbo:inchi "InChI=1S/CHCl2F/c2-1(3)4/h1H";
dbo:iupacName "dichloro-fluoromethane"@en;
dbo:pubchem "6370"^^xsd:int;
dbo:smiles "C(F)(Cl)Cl";
dbp:inchikey "UMNKXPULIDJLSU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004160;
skos:inScheme vlcs:chemische_stof;
skos:notation "HCFK21";
skos:prefLabel "dichloorfluormethaan"@nl .
csc:CLWAXFZCVYJLLM-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:20993;
dbo:casNumber "4860-03-1";
dbo:formula "C16H33Cl";
dbo:inchi "InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3";
dbo:iupacName "1-Chlorohexadecane"@en;
dbo:pubchem "20993"^^xsd:int;
dbo:smiles "CCCCCCCCCCCCCCCCCl";
dbp:inchikey "CLWAXFZCVYJLLM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001516;
skos:inScheme vlcs:chemische_stof;
skos:notation "1ClC16a";
skos:prefLabel "1-chloorhexadecaan"@nl .
csc:ZOKXTWBITQBERF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:23932;
dbo:casNumber "16065-87-5" , "22541-84-0" , "7439-98-7";
dbo:formula "Mo";
dbo:inchi "InChI=1S/Mo";
dbo:iupacName "Molybdenum"@en;
dbo:pubchem "23932"^^xsd:int;
dbo:smiles "[Mo]";
dbp:inchikey "ZOKXTWBITQBERF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:exactMatch wise:CAS_7439-98-7;
skos:inScheme vlcs:chemische_stof;
skos:notation "Mo";
skos:prefLabel "molybdeen"@nl .
csc:QXFUBAAEKCHBQY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:84788;
dbo:casNumber "15090-23-0";
dbo:formula "C4H9O4P";
dbo:inchi "InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)";
dbo:iupacName "3-(hydroxy-methylphosphoryl)propanoic acid"@en;
dbo:pubchem "84788"^^xsd:int;
dbo:smiles "CP(=O)(CCC(=O)O)O";
dbp:inchikey "QXFUBAAEKCHBQY-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001205;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C1yPppozr";
skos:prefLabel "3-(hydroxymethylfosfinoyl)propionzuur"@nl .
csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:6484;
dbo:casNumber "1002-53-5";
dbo:formula "C8H18Sn";
dbo:inchi "InChI=1S/2C4H9.Sn/c2*1-3-4-2;/h2*1,3-4H2,2H3;";
dbo:iupacName "dibutyltin"@en;
dbo:pubchem "6484"^^xsd:int;
dbo:smiles "CCCC[Sn]CCCC";
dbp:inchikey "AYOHIQLKSOJJQH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001524;
skos:exactMatch wise:CAS_1002-53-5;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "dibutyltin"@nl .
csc:IRCMYGHHKLLGHV-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:33360;
dbo:casNumber "26225-79-6";
dbo:formula "C13H18O5S";
dbo:inchi "InChI=1S/C13H18O5S/c1-5-16-12-13(2,3)10-8-9(18-19(4,14)15)6-7-11(10)17-12/h6-8,12H,5H2,1-4H3";
dbo:iupacName "(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate"@en;
dbo:pubchem "33360"^^xsd:int;
dbo:smiles "CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C";
dbp:inchikey "IRCMYGHHKLLGHV-UHFFFAOYSA-N";
skos:altLabel "ethofumesate"@nl;
skos:broader csc:CHEMONTID_0004189;
skos:exactMatch wise:CAS_26225-79-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "etfmst";
skos:prefLabel "ethofumesaat"@nl .
csc:FZLIPJUXYLNCLC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23926;
dbo:casNumber "7439-91-0" , "17643-88-8" , "110123-48-3" , "14762-71-1";
dbo:formula "La";
dbo:inchi "InChI=1S/La";
dbo:iupacName "LANTHANUM"@en;
dbo:pubchem "23926"^^xsd:int;
dbo:smiles "[La]";
dbp:inchikey "FZLIPJUXYLNCLC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000429;
skos:inScheme vlcs:chemische_stof;
skos:notation "La";
skos:prefLabel "lanthaan"@nl .
csc:MFXAFJHONPALGF-UHFFFAOYSA-J
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:16205018;
dbo:casNumber "151-41-7" , "22397-58-6";
dbo:formula "C12H26O8S2Zn-2";
dbo:inchi "InChI=1S/C12H26.2H2O4S.Zn/c1-3-5-7-9-11-12-10-8-6-4-2;2*1-5(2,3)4;/h3-12H2,1-2H3;2*(H2,1,2,3,4);/q;;;+2/p-4";
dbo:iupacName "zinc dodecane disulfate"@en;
dbo:pubchem "16205018"^^xsd:int;
dbo:smiles "CCCCCCCCCCCC.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Zn+2]";
dbp:inchikey "MFXAFJHONPALGF-UHFFFAOYSA-J";
skos:broader csc:CHEMONTID_0003929;
skos:inScheme vlcs:chemische_stof;
skos:notation "C12ySO4";
skos:prefLabel "laurylsulfaat"@nl .
csc:OWUZCVPRFKSBRG-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:91748;
dbo:casNumber "90035-08-8";
dbo:formula "C33H25F3O4";
dbo:inchi "InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,38H,17-19H2";
dbo:iupacName "2-hydroxy-3-[3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]chromen-4-one"@en;
dbo:pubchem "91748"^^xsd:int;
dbo:smiles "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)OCC6=CC=C(C=C6)C(F)(F)F";
dbp:inchikey "OWUZCVPRFKSBRG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002044;
skos:inScheme vlcs:chemische_stof;
skos:notation "flocmfn";
skos:prefLabel "flocoumafen"@nl .
csc:PJSFRIWCGOHTNF-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:17134;
dbo:casNumber "2447-57-6";
dbo:formula "C12H14N4O4S";
dbo:inchi "InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)";
dbo:iupacName "4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide"@en;
dbo:pubchem "17134"^^xsd:int;
dbo:smiles "COC1=C(N=CN=C1OC)NS(=O)(=O)C2=CC=C(C=C2)N";
dbp:inchikey "PJSFRIWCGOHTNF-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001925;
skos:inScheme vlcs:chemische_stof;
skos:notation "sulfdxne";
skos:prefLabel "sulfadoxine"@nl .
csc:XJDNKRIXUMDJCW-UHFFFAOYSA-J
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:24193;
dbo:casNumber "7705-07-9" , "15612-71-2" , "44246-22-2" , "7550-45-0" , "11130-18-0";
dbo:formula "Cl4Ti";
dbo:inchi "InChI=1S/4ClH.Ti/h4*1H;/q;;;;+4/p-4";
dbo:iupacName "['titanium(+4) cation tetrachloride', 'Tetrachlorotitanium']"@en;
dbo:pubchem "24193"^^xsd:int;
dbo:smiles "Cl[Ti](Cl)(Cl)Cl";
dbp:inchikey "XJDNKRIXUMDJCW-UHFFFAOYSA-J";
skos:broader csc:CHEMONTID_0000588;
skos:inScheme vlcs:chemische_stof;
skos:notation "TiT4Cl";
skos:prefLabel "titaantetrachloride"@nl .
csc:ICBJCVRQDSQPGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:78484;
dbo:casNumber "4747-07-3";
dbo:formula "C7H16O";
dbo:inchi "InChI=1S/C7H16O/c1-3-4-5-6-7-8-2/h3-7H2,1-2H3";
dbo:iupacName "1-Methoxyhexane"@en;
dbo:pubchem "78484"^^xsd:int;
dbo:smiles "CCCCCCOC";
dbp:inchikey "ICBJCVRQDSQPGI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001167;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1oxC6a";
skos:prefLabel "1-methoxyhexaan"@nl .
csc:DNTGGZPQPQTDQF-XBXARRHUSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:688020;
dbo:casNumber "483-63-6";
dbo:formula "C13H17NO";
dbo:inchi "InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+";
dbo:iupacName "['(E)-N-ethyl-N-(2-methylphenyl)but-2-enamide', 'N-ethyl-N-(2-methylphenyl)but-2-enamide']"@en;
dbo:pubchem "688020"^^xsd:int;
dbo:smiles "CCN(C1=CC=CC=C1C)C(=O)C=CC";
dbp:inchikey "DNTGGZPQPQTDQF-XBXARRHUSA-N";
skos:broader csc:CHEMONTID_0000285;
skos:inScheme vlcs:chemische_stof;
skos:notation "crotmtn";
skos:prefLabel "crotamiton"@nl .
csc:LINPIYWFGCPVIE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:6914;
dbo:casNumber "88-06-2";
dbo:formula "C6H3Cl3O";
dbo:inchi "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H";
dbo:iupacName "2,4,6-Trichlorophenol"@en;
dbo:pubchem "6914"^^xsd:int;
dbo:smiles "C1=C(C=C(C(=C1Cl)O)Cl)Cl";
dbp:inchikey "LINPIYWFGCPVIE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002772;
skos:exactMatch wise:CAS_88-06-2;
skos:inScheme vlcs:chemische_stof;
skos:notation "246TClFol";
skos:prefLabel "2,4,6-trichloorfenol"@nl .
csc:ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:comment "VLAR II bijl. 4.4.2 'alkylalcohol'"@nl;
rdfs:seeAlso compound:6560;
dbo:casNumber "78-83-1" , "68989-27-5";
dbo:formula "C4H10O";
dbo:inchi "InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3";
dbo:iupacName "2-Methylpropan-1-ol"@en;
dbo:pubchem "6560"^^xsd:int;
dbo:smiles "CC(C)CO";
dbp:inchikey "ZXEKIIBDNHEJCQ-UHFFFAOYSA-N";
skos:altLabel "2-methylpropanol (iso-butanol)"@nl;
skos:broader csc:CHEMONTID_0000286;
skos:inScheme vlcs:chemische_stof;
skos:notation "2C1yC3ol";
skos:prefLabel "isobutanol"@nl .
csc:HOMGKSMUEGBAAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:3690;
dbo:casNumber "3778-73-2" , "66849-33-0" , "36341-88-5" , "66849-34-1" , "84711-20-6";
dbo:formula "C7H15Cl2N2O2P";
dbo:inchi "InChI=1S/C7H15Cl2N2O2P/c8-2-4-10-14(12)11(6-3-9)5-1-7-13-14/h1-7H2,(H,10,12)";
dbo:iupacName "['(2S)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', '(2R)-N,3-bis(2-chloroethyl)-2-oxo-1-oxa-3-aza-2$l^{5}-phosphacyclohexan-2-amine', 'N,3-bis(2-chloroethyl)-2-hydroxy-1,3,2-oxazaphosphinan-2-ium-2-amine']"@en;
dbo:pubchem "3690"^^xsd:int;
dbo:smiles "C1CN(P(=O)(OC1)NCCCl)CCCl";
dbp:inchikey "HOMGKSMUEGBAAB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002858;
skos:inScheme vlcs:chemische_stof;
skos:notation "iffAd";
skos:prefLabel "ifosfamide"@nl .
csc:ILKJAFIWWBXGDU-WRRBAOOESA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:39858;
dbo:casNumber "51022-69-6";
dbo:formula "C28H35FO7";
dbo:inchi "InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19?,20-,21-,23+,24?,25?,27-,28+/m0/s1";
dbo:iupacName "[2-[(2S,4R,8S,11S,12R)-12-fluoro-11-hydroxy-9,13-dimethyl-16-oxospiro[5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-6,1'-cyclopentane]-8-yl]-2-oxoethyl] acetate"@en;
dbo:pubchem "39858"^^xsd:int;
dbo:smiles "CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CCC5=CC(=O)C=CC54C)F)O)C)OC6(O2)CCCC6";
dbp:inchikey "ILKJAFIWWBXGDU-WRRBAOOESA-N";
skos:broader csc:CHEMONTID_0001468;
skos:inScheme vlcs:chemische_stof;
skos:notation "amcnnde";
skos:prefLabel "amcinonide"@nl .
csc:IUTPYMGCWINGEY-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR III (D3) 'dioxineachtige PCB's'"@nl;
rdfs:seeAlso compound:35823;
dbo:casNumber "31508-00-6";
dbo:formula "C12H5Cl5";
dbo:inchi "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H";
dbo:iupacName "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene"@en;
dbo:pubchem "35823"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl";
dbp:inchikey "IUTPYMGCWINGEY-UHFFFAOYSA-N";
skos:altLabel "pcb 118"@nl , "2,3',4,4',5-pentachloorbifenyl (pcb118)"@nl , "PCB 118"@nl;
skos:broader csc:CHEMONTID_0003030;
skos:exactMatch wise:CAS_31508-00-6;
skos:inScheme vlcs:chemische_stof;
skos:notation "PCB118";
skos:prefLabel "2,3',4,4',5-pentachloorbifenyl"@nl .
csc:YPFDHNVEDLHUCE-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:10442;
dbo:casNumber "504-63-2" , "757125-93-2";
dbo:formula "C3H8O2";
dbo:inchi "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2";
dbo:iupacName "Propane-1,3-diol"@en;
dbo:pubchem "10442"^^xsd:int;
dbo:smiles "C(CO)CO";
dbp:inchikey "YPFDHNVEDLHUCE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000286;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC1yegcl";
skos:prefLabel "trimethyleenglycol (1,3-propyleenglycol)"@nl .
csc:VIONGDJUYAYOPU-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:119688;
dbo:casNumber "27619-97-2";
dbo:formula "C8H5F13O3S";
dbo:inchi "InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)";
dbo:iupacName "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid"@en;
dbo:pubchem "119688"^^xsd:int;
dbo:smiles "C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F";
dbp:inchikey "VIONGDJUYAYOPU-UHFFFAOYSA-N";
skos:altLabel "1H,1H,2H,2H-perfluorooctaansulfonzuur"@nl , "6:2 fluortelomeersulfonzuur"@nl , "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)"@nl , "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)"@nl , "6:2 fluortelomeersulfonzuur (6:2 fts)"@nl;
skos:broader csc:CHEMONTID_0001179;
skos:inScheme vlcs:chemische_stof;
skos:notation "2PFC6yC2a1sf" , "H4PFOS" , "6:2 FTS";
skos:prefLabel "1h,1h,2h,2h-perfluorooctaansulfonzuur"@nl .
csc:FAPWRFPIFSIZLT-UHFFFAOYSA-M
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5234;
dbo:casNumber "11062-43-4" , "7647-14-5" , "14784-90-8" , "14762-51-7" , "11062-32-1" , "32343-72-9" , "8028-77-1";
dbo:formula "ClNa";
dbo:inchi "InChI=1S/ClH.Na/h1H;/q;+1/p-1";
dbo:iupacName "Sodium chloride"@en;
dbo:pubchem "5234"^^xsd:int;
dbo:smiles "[Na+].[Cl-]";
dbp:inchikey "FAPWRFPIFSIZLT-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000563;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaCl";
skos:prefLabel "natriumchloride"@nl .
csc:KVGLBTYUCJYMND-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:13676;
dbo:casNumber "66767-39-3" , "944-22-9";
dbo:formula "C10H15OPS2";
dbo:inchi "InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3";
dbo:iupacName "ethoxy-ethyl-phenylsulfanyl-sulfanylidenephosphorane"@en;
dbo:pubchem "13676"^^xsd:int;
dbo:smiles "CCOP(=S)(CC)SC1=CC=CC=C1";
dbp:inchikey "KVGLBTYUCJYMND-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002279;
skos:exactMatch wise:CAS_944-22-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "fonfs";
skos:prefLabel "fonofos"@nl .
csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:68601;
dbo:casNumber "86347-14-0" , "86347-15-1";
dbo:formula "C13H17ClN2";
dbo:inchi "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H";
dbo:iupacName "4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride"@en;
dbo:pubchem "68601"^^xsd:int;
dbo:smiles "CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl";
dbp:inchikey "VPNGEIHDPSLNMU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004210;
skos:inScheme vlcs:chemische_stof;
skos:notation "medtmdneHCl";
skos:prefLabel "medetomidine hydrochloride"@nl .
csc:ZXQYGBMAQZUVMI-UNOMPAQXSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5281873;
dbo:casNumber "68085-85-8";
dbo:formula "C23H19ClF3NO3";
dbo:inchi "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-";
dbo:iupacName "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']"@en;
dbo:pubchem "5281873"^^xsd:int;
dbo:smiles "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(C(F)(F)F)Cl)C";
dbp:inchikey "ZXQYGBMAQZUVMI-UNOMPAQXSA-N";
skos:broader csc:CHEMONTID_0001461;
skos:inScheme vlcs:chemische_stof;
skos:notation "cyhltn";
skos:prefLabel "cyhalothrin"@nl .
csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:23978;
dbo:casNumber "7440-50-8" , "195161-80-9" , "133353-46-5" , "65555-90-0" , "72514-83-1" , "133353-47-6";
dbo:formula "Cu";
dbo:inchi "InChI=1S/Cu";
dbo:iupacName "Copper"@en;
dbo:pubchem "23978"^^xsd:int;
dbo:smiles "[Cu]";
dbp:inchikey "RYGMFSIKBFXOCR-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:exactMatch wise:CAS_7440-50-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cu";
skos:prefLabel "koper"@nl .
csc:OZVBMTJYIDMWIL-AYFBDAFISA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:31101;
dbo:casNumber "25614-03-3";
dbo:formula "C32H40BrN5O5";
dbo:inchi "InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1";
dbo:iupacName "(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide"@en;
dbo:pubchem "31101"^^xsd:int;
dbo:smiles "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O";
dbp:inchikey "OZVBMTJYIDMWIL-AYFBDAFISA-N";
skos:broader csc:CHEMONTID_0002746;
skos:inScheme vlcs:chemische_stof;
skos:notation "Brctne";
skos:prefLabel "bromocriptine"@nl .
csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:3035;
dbo:casNumber "68679-99-2" , "12002-54-9" , "72-55-9";
dbo:formula "C14H8Cl4";
dbo:inchi "InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H";
dbo:iupacName "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene"@en;
dbo:pubchem "3035"^^xsd:int;
dbo:smiles "C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl";
dbp:inchikey "UCNVFOCBFJOQAL-UHFFFAOYSA-N";
skos:altLabel "p,p’-dde"@nl , "4,4'-dichloordifenyldichlooretheen"@nl;
skos:broader csc:CHEMONTID_0000369;
skos:exactMatch wise:CAS_72-55-9;
skos:inScheme vlcs:chemische_stof;
skos:notation "44DDE";
skos:prefLabel "pp'dichloordifenyldichlooretheen"@nl .
csc:GWHCXVQVJPWHRF-KTKRTIGZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:5281120;
dbo:casNumber "506-37-6";
dbo:formula "C24H46O2";
dbo:inchi "InChI=1S/C24H46O2/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)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-";
dbo:iupacName "(Z)-tetracos-15-enoic acid"@en;
dbo:pubchem "5281120"^^xsd:int;
dbo:smiles "CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O";
dbp:inchikey "GWHCXVQVJPWHRF-KTKRTIGZSA-N";
skos:broader csc:CHEMONTID_0002950;
skos:inScheme vlcs:chemische_stof;
skos:notation "c15C24ezr";
skos:prefLabel "cis-15-tetracoseenzuur"@nl .
csc:LFNLGNPSGWYGGD-OUBTZVSYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:167422;
dbo:casNumber "15766-25-3";
dbo:formula "Np";
dbo:inchi "InChI=1S/Np/i1+1";
dbo:iupacName "neptunium-238"@en;
dbo:pubchem "167422"^^xsd:int;
dbo:smiles "[Np]";
dbp:inchikey "LFNLGNPSGWYGGD-OUBTZVSYSA-N";
skos:broader csc:CHEMONTID_0000430;
skos:inScheme vlcs:chemische_stof;
skos:notation "Np238";
skos:prefLabel "neptunium 238"@nl .
csc:STRTXDFFNXSZQB-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:21917771;
dbo:casNumber "156-62-7";
dbo:formula "CH2CaN2+2";
dbo:inchi "InChI=1S/CH2N2.Ca/c2-1-3;/h2H2;/q;+2";
dbo:iupacName "CALCIUM CYANAMIDE"@en;
dbo:pubchem "21917771"^^xsd:int;
dbo:smiles "C(#N)N.[Ca+2]";
dbp:inchikey "STRTXDFFNXSZQB-UHFFFAOYSA-N";
skos:inScheme vlcs:chemische_stof;
skos:notation "CacaAd";
skos:prefLabel "calciumcyanamide"@nl .
csc:UDHXJZHVNHGCEC-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:19402;
dbo:casNumber "3691-35-8";
dbo:formula "C23H15ClO3";
dbo:inchi "InChI=1S/C23H15ClO3/c24-16-12-10-15(11-13-16)19(14-6-2-1-3-7-14)23(27)20-21(25)17-8-4-5-9-18(17)22(20)26/h1-13,19-20H";
dbo:iupacName "2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione"@en;
dbo:pubchem "19402"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)C(=O)C3C(=O)C4=CC=CC=C4C3=O";
dbp:inchikey "UDHXJZHVNHGCEC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000369;
skos:inScheme vlcs:chemische_stof;
skos:notation "clfcnn";
skos:prefLabel "chloorfacinon"@nl .
csc:IMUDHTPIFIBORV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:8795;
dbo:casNumber "140-31-8";
dbo:formula "C6H15N3";
dbo:inchi "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2";
dbo:iupacName "2-piperazin-1-ylethanamine"@en;
dbo:pubchem "8795"^^xsd:int;
dbo:smiles "C1CN(CCN1)CCN";
dbp:inchikey "IMUDHTPIFIBORV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003357;
skos:inScheme vlcs:chemische_stof;
skos:notation "2AoC2ypprzne";
skos:prefLabel "2-aminoethylpiperazine"@nl .
csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:7245;
dbo:casNumber "25167-80-0" , "95-57-8";
dbo:formula "C6H5ClO";
dbo:inchi "InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H";
dbo:iupacName "2-Chlorophenol"@en;
dbo:pubchem "7245"^^xsd:int;
dbo:smiles "C1=CC=C(C(=C1)O)Cl";
dbp:inchikey "ISPYQTSUDJAMAB-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002771;
skos:exactMatch wise:CAS_95-57-8;
skos:inScheme vlcs:chemische_stof;
skos:notation "2ClFol";
skos:prefLabel "2-chloorfenol"@nl .
csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:6537506;
dbo:casNumber "32536-52-0";
dbo:formula "C12H2Br8O";
dbo:inchi "InChI=1S/C12H2Br8O/c13-3-1-5(9(17)11(19)7(3)15)21-6-2-4(14)8(16)12(20)10(6)18/h1-2H";
dbo:iupacName "1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene"@en;
dbo:pubchem "6537506"^^xsd:int;
dbo:smiles "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br";
dbp:inchikey "ORYGKUIDIMIRNN-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001845;
skos:exactMatch wise:CAS_32536-52-0;
skos:inScheme vlcs:chemische_stof;
skos:prefLabel "octabroomdifenylether"@nl .
csc:RCINICONZNJXQF-VAZQATRQSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:441276;
dbo:casNumber "33069-62-4";
dbo:formula "C47H51NO14";
dbo:inchi "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1";
dbo:iupacName "[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate"@en;
dbo:pubchem "441276"^^xsd:int;
dbo:smiles "CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C";
dbp:inchikey "RCINICONZNJXQF-VAZQATRQSA-N";
skos:broader csc:CHEMONTID_0000676;
skos:inScheme vlcs:chemische_stof;
skos:notation "pactxl";
skos:prefLabel "paclitaxel"@nl .
csc:TVFDJXOCXUVLDH-RNFDNDRNSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:5486527;
dbo:casNumber "10045-97-3";
dbo:formula "Cs";
dbo:inchi "InChI=1S/Cs/i1+4";
dbo:iupacName "cesium-137"@en;
dbo:pubchem "5486527"^^xsd:int;
dbo:smiles "[Cs]";
dbp:inchikey "TVFDJXOCXUVLDH-RNFDNDRNSA-N";
skos:broader csc:CHEMONTID_0000425;
skos:inScheme vlcs:chemische_stof;
skos:notation "Cs137";
skos:prefLabel "cesium 137"@nl .
csc:XUXNAKZDHHEHPC-UHFFFAOYSA-M
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:24607;
dbo:casNumber "38869-75-9" , "7789-38-0" , "38869-76-0";
dbo:formula "BrNaO3";
dbo:inchi "InChI=1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1";
dbo:iupacName "SODIUM BROMATE"@en;
dbo:pubchem "24607"^^xsd:int;
dbo:smiles "[O-]Br(=O)=O.[Na+]";
dbp:inchikey "XUXNAKZDHHEHPC-UHFFFAOYSA-M";
skos:broader csc:CHEMONTID_0000631;
skos:inScheme vlcs:chemische_stof;
skos:notation "NaBrO3";
skos:prefLabel "natriumbromaat"@nl .
csc:UVCJGUGAGLDPAA-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:33919;
dbo:casNumber "165659-93-8" , "27503-81-7";
dbo:formula "C13H10N2O3S";
dbo:inchi "InChI=1S/C13H10N2O3S/c16-19(17,18)10-6-7-11-12(8-10)15-13(14-11)9-4-2-1-3-5-9/h1-8H,(H,14,15)(H,16,17,18)";
dbo:iupacName "2-phenyl-3H-benzimidazole-5-sulfonic acid"@en;
dbo:pubchem "33919"^^xsd:int;
dbo:smiles "C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O";
dbp:inchikey "UVCJGUGAGLDPAA-UHFFFAOYSA-N";
skos:altLabel "2-fenyl-1H-benzimidazol-5-sulfonzuur"@nl;
skos:broader csc:CHEMONTID_0000330;
skos:inScheme vlcs:chemische_stof;
skos:notation "2Fy1Hbzmdz5s";
skos:prefLabel "2-fenyl-1h-benzimidazol-5-sulfonzuur"@nl .
csc:WYVVKGNFXHOCQV-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:62097;
dbo:casNumber "85045-09-6" , "84826-91-5" , "104732-42-5" , "55406-53-6" , "161849-41-8";
dbo:formula "C8H12INO2";
dbo:inchi "InChI=1S/C8H12INO2/c1-2-3-6-10-8(11)12-7-4-5-9/h2-3,6-7H2,1H3,(H,10,11)";
dbo:iupacName "3-iodoprop-2-ynyl N-butylcarbamate"@en;
dbo:pubchem "62097"^^xsd:int;
dbo:smiles "CCCCNC(=O)OCC#CI";
dbp:inchikey "WYVVKGNFXHOCQV-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002285;
skos:inScheme vlcs:chemische_stof;
skos:notation "IppnC4ycbmt";
skos:prefLabel "joodpropynylbutylcarbamaat"@nl .
csc:FBOUIAKEJMZPQG-AWNIVKPZSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:6436605;
dbo:casNumber "70217-36-6" , "76714-88-0" , "101179-53-7" , "83657-24-3";
dbo:formula "C15H17Cl2N3O";
dbo:inchi "InChI=1S/C15H17Cl2N3O/c1-15(2,3)14(21)13(20-9-18-8-19-20)6-10-4-5-11(16)7-12(10)17/h4-9,14,21H,1-3H3/b13-6+";
dbo:iupacName "['1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol', '(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol']"@en;
dbo:pubchem "6436605"^^xsd:int;
dbo:smiles "CC(C)(C)C(C(=CC1=C(C=C(C=C1)Cl)Cl)N2C=NC=N2)O";
dbp:inchikey "FBOUIAKEJMZPQG-AWNIVKPZSA-N";
skos:broader csc:CHEMONTID_0002754;
skos:inScheme vlcs:chemische_stof;
skos:notation "Dncnzl";
skos:prefLabel "diniconazool"@nl .
csc:HHUQPWODPBDTLI-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:119361;
dbo:casNumber "120983-64-4";
dbo:formula "C14H15Cl2N3O";
dbo:inchi "InChI=1S/C14H15Cl2N3O/c15-12-4-2-1-3-11(12)7-14(20,13(16)5-6-13)8-19-10-17-9-18-19/h1-4,9-10,20H,5-8H2";
dbo:iupacName "2-(1-chlorocyclopropyl)-1-(2-chlorophenyl)-3-(1,2,4-triazol-1-yl)propan-2-ol"@en;
dbo:pubchem "119361"^^xsd:int;
dbo:smiles "C1CC1(C(CC2=CC=CC=C2Cl)(CN3C=NC=N3)O)Cl";
dbp:inchikey "HHUQPWODPBDTLI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001099;
skos:inScheme vlcs:chemische_stof;
skos:notation "protocnzdto";
skos:prefLabel "prothioconazol-desthio"@nl .
csc:BFGKITSFLPAWGI-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:27668;
dbo:casNumber "16065-83-1";
dbo:formula "Cr+3";
dbo:inchi "InChI=1S/Cr/q+3";
dbo:iupacName "chromium(+3) cation"@en;
dbo:pubchem "27668"^^xsd:int;
dbo:smiles "[Cr+3]";
dbp:inchikey "BFGKITSFLPAWGI-UHFFFAOYSA-N";
skos:altLabel "chroom (driewaardig)"@nl;
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "CrIII";
skos:prefLabel "chroom, driewaardig"@nl .
csc:STJMRWALKKWQGH-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:2783;
dbo:casNumber "50499-60-0" , "50306-03-1" , "37148-27-9";
dbo:formula "C12H18Cl2N2O";
dbo:inchi "InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3";
dbo:iupacName "1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol"@en;
dbo:pubchem "2783"^^xsd:int;
dbo:smiles "CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O";
dbp:inchikey "STJMRWALKKWQGH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0002564;
skos:inScheme vlcs:chemische_stof;
skos:notation "clenbtrl";
skos:prefLabel "clenbuterol"@nl .
csc:VTQWKUZUPOTXEH-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:5360414;
dbo:casNumber "13181-17-4";
dbo:formula "C13H7Br2N3O6";
dbo:inchi "InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,16H";
dbo:iupacName "2,6-dibromo-4-[[(2,4-dinitrophenoxy)amino]methylidene]cyclohexa-2,5-dien-1-one"@en;
dbo:pubchem "5360414"^^xsd:int;
dbo:smiles "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br";
dbp:inchikey "VTQWKUZUPOTXEH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000036;
skos:inScheme vlcs:chemische_stof;
skos:notation "Brfnxm";
skos:prefLabel "broomfenoxim"@nl .
csc:NTHXOOBQLCIOLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:seeAlso compound:3730;
dbo:casNumber "66108-95-0";
dbo:formula "C19H26I3N3O9";
dbo:inchi "InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)";
dbo:iupacName "5-(acetyl-(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide"@en;
dbo:pubchem "3730"^^xsd:int;
dbo:smiles "CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I";
dbp:inchikey "NTHXOOBQLCIOLC-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004718;
skos:inScheme vlcs:chemische_stof;
skos:notation "johxl";
skos:prefLabel "johexol"@nl .
csc:CONWAEURSVPLRM-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:62276;
dbo:casNumber "83513-60-4" , "143956-87-0" , "77501-63-4";
dbo:formula "C19H15ClF3NO7";
dbo:inchi "InChI=1S/C19H15ClF3NO7/c1-3-29-17(25)10(2)30-18(26)13-9-12(5-6-15(13)24(27)28)31-16-7-4-11(8-14(16)20)19(21,22)23/h4-10H,3H2,1-2H3";
dbo:iupacName "(1-ethoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate"@en;
dbo:pubchem "62276"^^xsd:int;
dbo:smiles "CCOC(=O)C(C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]";
dbp:inchikey "CONWAEURSVPLRM-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "lactfn";
skos:prefLabel "lactofen"@nl .
csc:ATLMFJTZZPOKLC-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , dbo:ChemicalSubstance , skos:Concept;
rdfs:seeAlso compound:16131935;
dbo:casNumber "115383-22-7";
dbo:formula "C70";
dbo:inchi "InChI=1S/C70/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64";
dbo:iupacName "(C70-D5h(6))[5,6]fullerene"@en;
dbo:pubchem "16131935"^^xsd:int;
dbo:smiles "C12=C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%10=C%10C8=C5C1=C%10C1=C%13C5=C8C1=C2C1=C3C2=C3C%10=C%13C%14=C3C1=C8C1=C3C5=C%12C5=C8C%11=C%11C9=C7C7=C9C6=C4C2=C2C%10=C4C(=C29)C2=C6C(=C8C8=C9C6=C4C%13=C9C(=C%141)C3=C85)C%11=C27";
dbp:inchikey "ATLMFJTZZPOKLC-UHFFFAOYSA-N";
skos:altLabel "fullereen C70"@nl;
skos:broader csc:CHEMONTID_0000316;
skos:inScheme vlcs:chemische_stof;
skos:notation "fullrnC70";
skos:prefLabel "fullereen c70"@nl .
csc:QHRSESMSOJZMCO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:18774;
dbo:casNumber "3347-62-4";
dbo:formula "C10H10N2";
dbo:inchi "InChI=1S/C10H10N2/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)";
dbo:iupacName "3-methyl-5-phenyl-2H-pyrazole"@en;
dbo:pubchem "18774"^^xsd:int;
dbo:smiles "CC1=CC(=NN1)C2=CC=CC=C2";
dbp:inchikey "QHRSESMSOJZMCO-UHFFFAOYSA-N";
skos:altLabel "3-methyl-5-fenyl-1H-pyrazol"@nl;
skos:broader csc:CHEMONTID_0002019;
skos:inScheme vlcs:chemische_stof;
skos:notation "3C1y5Fy1Hprz";
skos:prefLabel "3-methyl-5-fenyl-1h-pyrazol"@nl .
csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:7158;
dbo:casNumber "7361-37-7" , "32795-97-4" , "93-72-1";
dbo:formula "C9H7Cl3O3";
dbo:inchi "InChI=1S/C9H7Cl3O3/c1-4(9(13)14)15-8-3-6(11)5(10)2-7(8)12/h2-4H,1H3,(H,13,14)";
dbo:iupacName "2-(2,4,5-trichlorophenoxy)propanoic acid"@en;
dbo:pubchem "7158"^^xsd:int;
dbo:smiles "CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl";
dbp:inchikey "ZLSWBLPERHFHIS-UHFFFAOYSA-N";
skos:altLabel "2,4,5-trichloorfenoxypropionzuur"@nl;
skos:broader csc:CHEMONTID_0004676;
skos:exactMatch wise:CAS_93-72-1;
skos:inScheme vlcs:chemische_stof;
skos:notation "245TP";
skos:prefLabel "fenoprop"@nl .
csc:URLKBWYHVLBVBO-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:comment "VLAR II bijl. 4.4.2 'xylenen'"@nl;
rdfs:seeAlso compound:7809;
dbo:casNumber "68650-36-2" , "106-42-3" , "68411-39-2";
dbo:formula "C8H10";
dbo:inchi "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3";
dbo:iupacName "1,4-Dimethylbenzene"@en;
dbo:pubchem "7809"^^xsd:int;
dbo:smiles "CC1=CC=C(C=C1)C";
dbp:inchikey "URLKBWYHVLBVBO-UHFFFAOYSA-N";
skos:altLabel "p-xyleen"@nl , "1,4-xyleen"@nl , "1,4-Dimethylbenzeen"@nl;
skos:broader csc:CHEMONTID_0004211;
skos:exactMatch wise:CAS_106-42-3;
skos:inScheme vlcs:chemische_stof;
skos:notation "14xyln";
skos:prefLabel "para-xyleen"@nl .
csc:NIIPNAJXERMYOG-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:43369;
dbo:casNumber "1741-01-1";
dbo:formula "C3H10N2";
dbo:inchi "InChI=1S/C3H10N2/c1-4-5(2)3/h4H,1-3H3";
dbo:iupacName "1,1,2-trimethylhydrazine"@en;
dbo:pubchem "43369"^^xsd:int;
dbo:smiles "CNN(C)C";
dbp:inchikey "NIIPNAJXERMYOG-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004511;
skos:inScheme vlcs:chemische_stof;
skos:notation "TC1yhdzne";
skos:prefLabel "trimethylhydrazine"@nl .
csc:WUAPFZMCVAUBPE-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , skos:Concept , dbo:ChemicalCompound;
rdfs:seeAlso compound:23947;
dbo:casNumber "22541-28-2" , "7440-15-5";
dbo:formula "Re";
dbo:inchi "InChI=1S/Re";
dbo:iupacName "RHENIUM"@en;
dbo:pubchem "23947"^^xsd:int;
dbo:smiles "[Re]";
dbp:inchikey "WUAPFZMCVAUBPE-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000426;
skos:inScheme vlcs:chemische_stof;
skos:notation "Re";
skos:prefLabel "renium"@nl .
csc:QGPQTSCLUYMZHL-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:61560;
dbo:casNumber "1309-37-1" , "12259-21-1";
dbo:formula "Fe2H2O4";
dbo:inchi "InChI=1S/2Fe.H2O.3O/h;;1H2;;;/q2*+3;;3*-2";
dbo:iupacName "iron(+3) cation; oxygen(-2) anion; hydrate"@en;
dbo:pubchem "61560"^^xsd:int;
dbo:smiles "O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3]";
dbp:inchikey "QGPQTSCLUYMZHL-UHFFFAOYSA-N";
skos:altLabel "ijzer(III)oxide"@nl;
skos:broader csc:CHEMONTID_0001270;
skos:inScheme vlcs:chemische_stof;
skos:notation "FeIIIO";
skos:prefLabel "ijzer(iii)oxide"@nl .
csc:MRBKEAMVRSLQPH-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:8456;
dbo:casNumber "25013-16-5" , "121-00-6" , "1341-82-8" , "921-00-6";
dbo:formula "C11H16O2";
dbo:inchi "InChI=1S/C11H16O2/c1-11(2,3)9-7-8(13-4)5-6-10(9)12/h5-7,12H,1-4H3";
dbo:iupacName "2-tert-Butyl-4-methoxyphenol"@en;
dbo:pubchem "8456"^^xsd:int;
dbo:smiles "CC(C)(C)C1=C(C=CC(=C1)OC)O";
dbp:inchikey "MRBKEAMVRSLQPH-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0000190;
skos:inScheme vlcs:chemische_stof;
skos:notation "2ttC4y4C1oxF";
skos:prefLabel "2-tert-butyl-4-methoxyfenol"@nl .
csc:RUIFULUFLANOCI-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:12067;
dbo:casNumber "618-85-9";
dbo:formula "C7H6N2O4";
dbo:inchi "InChI=1S/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3";
dbo:iupacName "1-Methyl-3,5-dinitrobenzene"@en;
dbo:pubchem "12067"^^xsd:int;
dbo:smiles "CC1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]";
dbp:inchikey "RUIFULUFLANOCI-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0003969;
skos:inScheme vlcs:chemische_stof;
skos:notation "35DNO2Tol";
skos:prefLabel "3,5-dinitrotolueen"@nl .
csc:SECXISVLQFMRJM-UHFFFAOYSA-N
rdf:type dbo:ChemicalSubstance , dbo:ChemicalCompound , skos:Concept;
rdfs:comment "VLAREM II bijlage 4.4.2"@nl;
rdfs:seeAlso compound:13387;
dbo:casNumber "26138-58-9" , "872-50-4" , "30207-69-3" , "51013-18-4" , "57762-46-6" , "53774-35-9";
dbo:formula "C5H9NO";
dbo:inchi "InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3";
dbo:iupacName "1-methylpyrrolidin-2-one"@en;
dbo:pubchem "13387"^^xsd:int;
dbo:smiles "CN1CCCC1=O";
dbp:inchikey "SECXISVLQFMRJM-UHFFFAOYSA-N";
skos:altLabel "n-methylpyrrolidon"@nl , "N-methylpyrrolidon "@nl;
skos:broader csc:CHEMONTID_0003449;
skos:inScheme vlcs:chemische_stof;
skos:notation "1C1y2prldnn";
skos:prefLabel "1-methyl-2-pyrrolidinon"@nl .
csc:BGRWYDHXPHLNKA-UHFFFAOYSA-N
rdf:type dbo:ChemicalCompound , skos:Concept , dbo:ChemicalSubstance;
rdfs:seeAlso compound:66347;
dbo:casNumber "10543-57-4";
dbo:formula "C10H16N2O4";
dbo:inchi "InChI=1S/C10H16N2O4/c1-7(13)11(8(2)14)5-6-12(9(3)15)10(4)16/h5-6H2,1-4H3";
dbo:iupacName "N-acetyl-N-[2-(diacetylamino)ethyl]acetamide"@en;
dbo:pubchem "66347"^^xsd:int;
dbo:smiles "CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C";
dbp:inchikey "BGRWYDHXPHLNKA-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0001658;
skos:inScheme vlcs:chemische_stof;
skos:notation "TAED";
skos:prefLabel "tetraacetylethyleendiamine"@nl .
csc:OQMBBFQZGJFLBU-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalCompound , dbo:ChemicalSubstance;
rdfs:seeAlso compound:39327;
dbo:casNumber "42874-03-3";
dbo:formula "C15H11ClF3NO4";
dbo:inchi "InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3";
dbo:iupacName "4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-ethoxy-1-nitrobenzene"@en;
dbo:pubchem "39327"^^xsd:int;
dbo:smiles "CCOC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]";
dbp:inchikey "OQMBBFQZGJFLBU-UHFFFAOYSA-N";
skos:broader csc:CHEMONTID_0004155;
skos:inScheme vlcs:chemische_stof;
skos:notation "OxFfn";
skos:prefLabel "oxyfluorfen"@nl .
csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N
rdf:type skos:Concept , dbo:ChemicalSubstance , dbo:ChemicalCompound;
rdfs:seeAlso compound:31200;
dbo:casNumber "94650-98-3" , "122-14-5" , "54182-70-6" , "12764-87-3";
dbo:formula "C9H12NO5PS";
dbo:inchi "InChI=1S