{ "@graph": [ { "@id": "csc:HVGRZDASOHMCSK-AVQMFFATSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:casNumber": "7370-49-2", "dbo:formula": "C22H40O2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "5282807", "@type": "xsd:int" }, "dbp:inchikey": "HVGRZDASOHMCSK-AVQMFFATSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002950" }, "skos:notation": "c1316C22aDzr", "skos:prefLabel": { "@language": "nl", "@value": "cis-13,16-docosadieenzuur" }, "dbo:iupacName": { "@language": "en", "@value": "(13E,16E)-docosa-13,16-dienoic acid" }, "dbo:smiles": "CCCCCC=CCC=CCCCCCCCCCCCC(=O)O", "rdfs:seeAlso": { "@id": "compound:5282807" } }, { "@id": "vlcs:chemische_stof", "skos:prefLabel": { "@language": "nl", "@value": "Conceptschema Chemische Stoffen" }, "skos:definition": { "@language": "nl", "@value": "Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt." }, "xkos:belongsTo": { "@id": "omg_dataset:codelijst-chemische_stof" }, "@type": "skos:ConceptScheme" }, { "@id": "csc:APQSQLNWAIULLK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "dbo:casNumber": "571-58-4", "skos:prefLabel": { "@language": "nl", "@value": "1,4-dimethylnaftaleen" }, "dbp:inchikey": "APQSQLNWAIULLK-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-Dimethylnaphthalene" }, "rdfs:seeAlso": { "@id": "compound:11304" }, "dbo:pubchem": { "@value": "11304", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3", "dbo:smiles": "CC1=CC=C(C2=CC=CC=C12)C", "skos:notation": "14DC1yNaf", "dbo:formula": "C12H12" }, { "@id": "csc:SKBBQSLSGRSQAJ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "13888", "@type": "xsd:int" }, "skos:notation": "14DactBen", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CC(=O)C1=CC=C(C=C1)C(=O)C", "dbo:formula": "C10H10O2", "dbp:inchikey": "SKBBQSLSGRSQAJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0004298" }, "dbo:iupacName": { "@language": "en", "@value": "1-(4-acetylphenyl)ethanone" }, "rdfs:seeAlso": { "@id": "compound:13888" }, "skos:prefLabel": { "@language": "nl", "@value": "1,4-diacetylbenzeen" }, "dbo:casNumber": "1009-61-6" }, { "@id": "csc:GETQZCLCWQTVFV-UHFFFAOYSA-N", "dbo:casNumber": [ "75-50-3", "4558-12-7" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:1146" }, "dbo:pubchem": { "@value": "1146", "@type": "xsd:int" }, "dbo:smiles": "CN(C)C", "skos:prefLabel": { "@language": "nl", "@value": "trimethylamine" }, "dbp:inchikey": "GETQZCLCWQTVFV-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002239" }, "dbo:formula": "C3H9N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "TC1yAe", "dbo:iupacName": { "@language": "en", "@value": "N,N-dimethylmethanamine" }, "dbo:inchi": "InChI=1S/C3H9N/c1-4(2)3/h1-3H3" }, { "@id": "csc:BQENMISTWGTJIJ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:51075" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-tetrachloro-5-(3-chlorophenyl)benzene" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,5-pentachloorbifenyl" }, "dbo:smiles": "C1=CC(=CC(=C1)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl", "skos:notation": "PCB107", "dbo:formula": "C12H5Cl5", "dbo:casNumber": "70424-69-0", "dbo:pubchem": { "@value": "51075", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "BQENMISTWGTJIJ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "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" }, { "@id": "csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:18555" }, "skos:notation": "23DClNO2Ben", "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H", "dbp:inchikey": "CMVQZRLQEOAYSW-UHFFFAOYSA-N", "dbo:casNumber": [ "27900-75-0", "3209-22-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)[N+](=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichloro-3-nitrobenzene" }, "skos:exactMatch": { "@id": "wise:CAS_3209-22-1" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "18555", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3-dichloornitrobenzeen" }, "dbo:formula": "C6H3Cl2NO2" }, { "@id": "csc:CXBDYQVECUFKRK-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCOC", "dbp:inchikey": "CXBDYQVECUFKRK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C5H12O/c1-3-4-5-6-2/h3-5H2,1-2H3", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1-Methoxybutane" }, "rdfs:seeAlso": { "@id": "compound:12338" }, "dbo:casNumber": "628-28-4", "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:pubchem": { "@value": "12338", "@type": "xsd:int" }, "skos:notation": "1C1oxC4a", "skos:prefLabel": { "@language": "nl", "@value": "1-methoxybutaan" }, "dbo:formula": "C5H12O" }, { "@id": "csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)N)Cl", "rdfs:seeAlso": { "@id": "compound:12007" }, "skos:altLabel": { "@language": "nl", "@value": "2-chloor-para-toluïdine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C7H8ClN", "skos:notation": "2Cl4C1yAn", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-4-methylaniline" }, "dbp:inchikey": "XGYLSRFSXKAYCR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "dbo:pubchem": { "@value": "12007", "@type": "xsd:int" }, "dbo:casNumber": "615-65-6", "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-4-methylaniline" }, "skos:exactMatch": { "@id": "wise:CAS_615-65-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3" }, { "@id": "csc:FBOZXECLQNJBKD-ZDUSSCGKSA-N", "skos:prefLabel": { "@language": "nl", "@value": "methotrexaat" }, "dbo:pubchem": { "@value": "126941", "@type": "xsd:int" }, "dbo:casNumber": "59-05-2", "skos:broader": { "@id": "csc:CHEMONTID_0004323" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:126941" }, "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", "dbp:inchikey": "FBOZXECLQNJBKD-ZDUSSCGKSA-N", "dbo:formula": "C20H22N8O5", "dbo:iupacName": { "@language": "en", "@value": "(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid" }, "skos:notation": "mettxt", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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" }, { "@id": "csc:PHSUVQBHRAWOQD-UHFFFAOYSA-N", "dbo:casNumber": "36756-79-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "S-(phenylmethyl) (di(butan-2-yl)amino)methanethioate" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:formula": "C16H25NOS", "skos:notation": "tocbzl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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:pubchem": { "@value": "37523", "@type": "xsd:int" }, "dbp:inchikey": "PHSUVQBHRAWOQD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:37523" }, "dbo:smiles": "CCC(C)N(C(C)CC)C(=O)SCC1=CC=CC=C1", "skos:prefLabel": { "@language": "nl", "@value": "tiocarbazil" } }, { "@id": "csc:RGCLLPNLLBQHPF-HJWRWDBZSA-N", "skos:prefLabel": { "@language": "nl", "@value": "fosfamidon" }, "skos:altLabel": { "@language": "nl", "@value": "cis-fosfamidon" }, "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-", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": [ "cfosfmdn", "fosfmdn" ], "dbp:inchikey": "RGCLLPNLLBQHPF-HJWRWDBZSA-N", "dbo:casNumber": [ "13171-21-6", "23783-98-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "['(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']" }, "dbo:smiles": "CCN(CC)C(=O)C(=C(C)OP(=O)(OC)OC)Cl", "rdfs:seeAlso": { "@id": "compound:3032604" }, "dbo:pubchem": { "@value": "3032604", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003459" }, "dbo:formula": "C10H19ClNO5P" }, { "@id": "csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N", "skos:notation": "26DC1yFol", "dbo:iupacName": { "@language": "en", "@value": "2,6-Dimethylphenol" }, "skos:exactMatch": { "@id": "wise:CAS_576-26-1" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2,6-dimethylfenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "1300-71-6", "28449-96-9", "50356-22-4", "25134-01-4", "576-26-1" ], "dbp:inchikey": "NXXYKOUNUYWIHA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11335" }, "skos:broader": { "@id": "csc:CHEMONTID_0001274" }, "dbo:smiles": "CC1=C(C(=CC=C1)C)O", "dbo:inchi": "InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3", "dbo:formula": "C8H10O", "dbo:pubchem": { "@value": "11335", "@type": "xsd:int" } }, { "@id": "csc:RRLGETDMEIMLQU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbo:smiles": "CCCCCCCCCC1=CC=CC=C1OCCOCCO", "dbo:iupacName": { "@language": "en", "@value": "2-[2-(2-nonylphenoxy)ethoxy]ethanol" }, "skos:prefLabel": { "@language": "nl", "@value": "nonylfenoldiethoxylaat" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "27176-93-8", "106400-82-2" ], "dbo:pubchem": { "@value": "3032832", "@type": "xsd:int" }, "dbp:inchikey": "RRLGETDMEIMLQU-UHFFFAOYSA-N", "skos:notation": "NPEO2", "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", "rdfs:seeAlso": { "@id": "compound:3032832" } }, { "@id": "csc:PRPINYUDVPFIRX-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-naphthalen-1-ylacetic acid" }, "dbo:casNumber": [ "26445-01-2", "86-87-3", "61913-11-9" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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:formula": "C12H10O2", "skos:prefLabel": { "@language": "nl", "@value": "1-naftaleenazijnzuur" }, "skos:notation": "1NafHAc", "dbo:pubchem": { "@value": "6862", "@type": "xsd:int" }, "dbp:inchikey": "PRPINYUDVPFIRX-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C2C(=C1)C=CC=C2CC(=O)O", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6862" } }, { "@id": "csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C9H11ClN2O", "dbo:pubchem": { "@value": "8800", "@type": "xsd:int" }, "dbo:casNumber": "150-68-5", "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "skos:exactMatch": { "@id": "wise:CAS_150-68-5" }, "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": { "@language": "en", "@value": "3-(4-Chlorophenyl)-1,1-dimethylurea" }, "skos:prefLabel": { "@language": "nl", "@value": "monuron" }, "dbp:inchikey": "BMLIZLVNXIYGCK-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8800" }, "skos:notation": "monrn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CN(C)C(=O)NC1=CC=C(C=C1)Cl" }, { "@id": "csc:GNSFRPWPOGYVLO-UHFFFAOYSA-N", "dbo:smiles": "CC(=C)C(=O)OCCCO", "skos:prefLabel": { "@language": "nl", "@value": "3-hydroxypropylmethacrylaat" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:17694" }, "dbp:inchikey": "GNSFRPWPOGYVLO-UHFFFAOYSA-N", "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" ], "skos:broader": { "@id": "csc:CHEMONTID_0003626" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "17694", "@type": "xsd:int" }, "dbo:formula": "C7H12O3", "skos:notation": "3HOC3ymtclt", "dbo:inchi": "InChI=1S/C7H12O3/c1-6(2)7(9)10-5-3-4-8/h8H,1,3-5H2,2H3", "dbo:iupacName": { "@language": "en", "@value": "3-hydroxypropyl 2-methylprop-2-enoate" } }, { "@id": "csc:HTQMVQVXFRQIKW-UHFFFAOYSA-N", "dbo:formula": "C24H20N6O3", "dbo:pubchem": { "@value": "2541", "@type": "xsd:int" }, "dbo:smiles": "CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O", "dbo:iupacName": { "@language": "en", "@value": "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid" }, "dbp:inchikey": "HTQMVQVXFRQIKW-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "rdfs:seeAlso": { "@id": "compound:2541" }, "dbo:casNumber": "139481-59-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "skos:notation": "candstn", "skos:prefLabel": { "@language": "nl", "@value": "candesartan" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ] }, { "@id": "csc:WIBFFTLQMKKBLZ-SEYXRHQNSA-N", "dbo:pubchem": { "@value": "5354342", "@type": "xsd:int" }, "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-", "skos:prefLabel": { "@language": "nl", "@value": "(z)-9-octadeceenzuur butylester" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "butyl (Z)-octadec-9-enoate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "dbo:casNumber": "142-77-8", "dbo:smiles": "CCCCCCCCC=CCCCCCCCC(=O)OCCCC", "skos:altLabel": { "@language": "nl", "@value": "(Z)-9-octadeceenzuur butylester" }, "skos:notation": "Z-9C18ezrC4y", "rdfs:seeAlso": { "@id": "compound:5354342" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C22H42O2", "dbp:inchikey": "WIBFFTLQMKKBLZ-SEYXRHQNSA-N" }, { "@id": "csc:HUBANNPOLNYSAD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "3,6-Dichloropyridine-2-carboxylic acid" }, "skos:prefLabel": { "@language": "nl", "@value": "clopyralid" }, "skos:notation": "cloprld", "dbo:smiles": "C1=CC(=NC(=C1Cl)C(=O)O)Cl", "rdfs:seeAlso": { "@id": "compound:15553" }, "skos:broader": { "@id": "csc:CHEMONTID_0002414" }, "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)", "dbo:pubchem": { "@value": "15553", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_1702-17-6" }, "dbo:casNumber": "1702-17-6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "HUBANNPOLNYSAD-UHFFFAOYSA-N", "dbo:formula": "C6H3Cl2NO2" }, { "@id": "csc:PQKBPHSEKWERTG-LLVKDONJSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "71283-80-2", "dbo:pubchem": { "@value": "91707", "@type": "xsd:int" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "skos:notation": "fenxppPC2y", "rdfs:seeAlso": { "@id": "compound:91707" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" }, "dbp:inchikey": "PQKBPHSEKWERTG-LLVKDONJSA-N", "dbo:formula": "C18H16ClNO5", "dbo:smiles": "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl", "skos:prefLabel": { "@language": "nl", "@value": "fenoxaprop-P-ethyl" }, "skos:altLabel": { "@language": "nl", "@value": "fenoxaprop-p-ethyl" } }, { "@id": "csc:VGEOUKPOQQEQSX-UHFFFAOYSA-M", "dbo:smiles": "CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)[O-].[Na+]", "skos:broader": { "@id": "csc:CHEMONTID_0004411" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 3-(acetyloxymethyl)-8-oxo-7-[(2-pyridin-4-ylsulfanylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "cefapirine" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:32325" }, "dbo:pubchem": { "@value": "32325", "@type": "xsd:int" }, "dbo:casNumber": "21593-23-7", "dbp:inchikey": "VGEOUKPOQQEQSX-UHFFFAOYSA-M", "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" }, { "@id": "csc:NCKMMSIFQUPKCK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "8425", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1=CC=C(C=C1)CC2=C(C=CC(=C2)Cl)O", "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", "rdfs:seeAlso": { "@id": "compound:8425" }, "dbo:formula": "C13H11ClO", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:casNumber": [ "120-32-1", "8013-49-8", "144246-47-9" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-2-(phenylmethyl)phenol" }, "dbp:inchikey": "NCKMMSIFQUPKCK-UHFFFAOYSA-N", "skos:notation": "Clfn", "skos:altLabel": { "@language": "nl", "@value": "4-chloor-2-benzylfenol" }, "skos:prefLabel": { "@language": "nl", "@value": "chlorofeen" } }, { "@id": "csc:NHGXDBSUJJNIRV-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "dbo:pubchem": { "@value": "70681", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:70681" }, "dbo:iupacName": { "@language": "en", "@value": "tetrabutylazanium chloride" }, "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", "skos:notation": "T4C4yNH4Cl", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C16H36ClN", "dbo:casNumber": [ "1112-67-0", "25147-59-5" ], "dbp:inchikey": "NHGXDBSUJJNIRV-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "tetrabutylammoniumchloride" }, "dbo:smiles": "CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WWRCMNKATXZARA-UHFFFAOYSA-N", "dbo:casNumber": [ "40356-70-5", "1329-98-2", "8023-69-6", "527-84-4", "52857-36-0", "25155-15-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "1C1y21C1yC2y", "dbo:iupacName": { "@language": "en", "@value": "1-methyl-2-propan-2-ylbenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0000355" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CC1=CC=CC=C1C(C)C", "dbo:inchi": "InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "1-methyl-2-(1-methylethyl)-benzeen (o-cymeen)" }, "dbo:formula": "C10H14", "rdfs:seeAlso": { "@id": "compound:10703" }, "dbp:inchikey": "WWRCMNKATXZARA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10703", "@type": "xsd:int" } }, { "@id": "csc:MCJGNVYPOGVAJF-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "8-chinolinol" }, "dbo:iupacName": { "@language": "en", "@value": "quinolin-8-ol" }, "rdfs:seeAlso": { "@id": "compound:1923" }, "dbp:inchikey": "MCJGNVYPOGVAJF-UHFFFAOYSA-N", "skos:notation": "8chinlnl", "skos:broader": { "@id": "csc:CHEMONTID_0003953" }, "dbo:formula": "C9H7NO", "dbo:smiles": "C1=CC2=C(C(=C1)O)N=CC=C2", "dbo:casNumber": [ "24804-14-6", "148-24-3", "123574-67-4" ], "dbo:pubchem": { "@value": "1923", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C9H7NO/c11-8-5-1-3-7-4-2-6-10-9(7)8/h1-6,11H", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:SVONRAPFKPVNKG-UHFFFAOYSA-N", "dbo:smiles": "CCOCCOC(=O)C", "skos:broader": { "@id": "csc:CHEMONTID_0001238" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-Ethoxyethyl acetate" }, "dbp:inchikey": "SVONRAPFKPVNKG-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H12O3/c1-3-8-4-5-9-6(2)7/h3-5H2,1-2H3", "dbo:formula": "C6H12O3", "skos:notation": "C2oxC2yactt", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "111-15-9", "skos:prefLabel": { "@language": "nl", "@value": "ethoxyethylacetaat" }, "rdfs:seeAlso": { "@id": "compound:8095" }, "dbo:pubchem": { "@value": "8095", "@type": "xsd:int" } }, { "@id": "csc:QQINRWTZWGJFDB-OUBTZVSYSA-N", "skos:notation": "Ac228", "skos:prefLabel": { "@language": "nl", "@value": "actinium 228" }, "dbo:inchi": "InChI=1S/Ac/i1+1", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "actinium-228" }, "dbo:casNumber": "14331-83-0", "dbo:pubchem": { "@value": "105063", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:105063" }, "dbo:smiles": "[Ac]", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "dbo:formula": "Ac", "dbp:inchikey": "QQINRWTZWGJFDB-OUBTZVSYSA-N" }, { "@id": "csc:BOTWFXYSPFMFNR-HMMYKYKNSA-N", "dbo:iupacName": { "@language": "en", "@value": "['(E)-3,7,11,15-tetramethylhexadec-2-en-1-ol', '3,7,11,15-Tetramethylhexadec-2-en-1-ol']" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C", "rdfs:seeAlso": { "@id": "compound:5366244" }, "dbo:pubchem": { "@value": "5366244", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "3,7,11,15-tetramethyl-2-hexadecen-1-ol" }, "dbo:casNumber": "102608-53-7", "skos:broader": { "@id": "csc:CHEMONTID_0001357" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C20H40O", "dbp:inchikey": "BOTWFXYSPFMFNR-HMMYKYKNSA-N", "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+", "skos:notation": "371115T4C1y2" }, { "@id": "csc:ZOWMRHVAQGTFTG-UHFFFAOYSA-N", "dbo:formula": "C62H85N11O16", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "2-deaminoactinomycine D" }, "dbo:iupacName": { "@language": "en", "@value": "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" }, "dbp:inchikey": "ZOWMRHVAQGTFTG-UHFFFAOYSA-N", "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", "skos:altLabel": { "@language": "nl", "@value": "2-deaminoactinomycine d" }, "dbo:pubchem": { "@value": "99813", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:99813" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "10118-32-8", "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)", "skos:broader": { "@id": "csc:CHEMONTID_0001994" }, "skos:notation": "2dAoatnmcnD" }, { "@id": "csc:JFALSRSLKYAFGM-NOHWODKXSA-N", "skos:prefLabel": { "@language": "nl", "@value": "uranium 231" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/U/i1-7", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "dbo:casNumber": "15700-08-0", "dbp:inchikey": "JFALSRSLKYAFGM-NOHWODKXSA-N", "dbo:formula": "U", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "uranium-231" }, "dbo:pubchem": { "@value": "177622", "@type": "xsd:int" }, "dbo:smiles": "[U]", "rdfs:seeAlso": { "@id": "compound:177622" }, "skos:notation": "U231" }, { "@id": "csc:ZMWGIGHRZQTQRE-UHFFFAOYSA-N", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:16002" }, "dbo:casNumber": "1929-73-3", "dbo:formula": "C14H18Cl2O4", "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-butoxyethyl 2-(2,4-dichlorophenoxy)acetate" }, "dbo:pubchem": { "@value": "16002", "@type": "xsd:int" }, "dbp:inchikey": "ZMWGIGHRZQTQRE-UHFFFAOYSA-N", "skos:notation": "24DC4oxC2yEs", "skos:altLabel": { "@language": "nl", "@value": "2,4-D butoxyethylester" }, "dbo:smiles": "CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "2,4-d butoxyethylester" } }, { "@id": "csc:PQKBPHSEKWERTG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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:casNumber": [ "66441-23-4", "87714-45-2", "82110-72-3" ], "rdfs:seeAlso": { "@id": "compound:47938" }, "skos:notation": "fenOapC2y", "skos:prefLabel": { "@language": "nl", "@value": "fenoxaprop-ethyl" }, "dbp:inchikey": "PQKBPHSEKWERTG-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "47938", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate" }, "dbo:formula": "C18H16ClNO5", "dbo:smiles": "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl" }, { "@id": "csc:MGNCLNQXLYJVJD-UHFFFAOYSA-N", "dbo:formula": "C3Cl3N3", "skos:prefLabel": { "@language": "nl", "@value": "2,4,6-trichloor-1,3,5-triazine" }, "skos:notation": "CNuzCl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "190086-22-7", "108-77-0" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3Cl3N3/c4-1-7-2(5)9-3(6)8-1", "skos:altLabel": { "@language": "nl", "@value": "cyanuurzuurchloride" }, "dbo:iupacName": { "@language": "en", "@value": "2,4,6-Trichloro-1,3,5-triazine" }, "skos:broader": { "@id": "csc:CHEMONTID_0004721" }, "dbo:pubchem": { "@value": "7954", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7954" }, "dbo:smiles": "C1(=NC(=NC(=N1)Cl)Cl)Cl", "dbp:inchikey": "MGNCLNQXLYJVJD-UHFFFAOYSA-N" }, { "@id": "csc:RWSOTUBLDIXVET-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art. 5.7.14.1" }, { "@language": "nl", "@value": "VLAR II Art. 5.28.3.5.1 'H2S'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'H2S' en 'H2S-gehalte'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2 'zwavelwaterstof'" }, { "@language": "nl", "@value": "VLAR III (D3) 'zwavelwaterstof'" } ], "skos:altLabel": [ { "@language": "nl", "@value": "waterstofsulfide (H2S)" }, { "@language": "nl", "@value": "octylzwavel" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "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" ], "dbp:inchikey": "RWSOTUBLDIXVET-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": [ "H2S", "S8" ], "skos:prefLabel": { "@language": "nl", "@value": "waterstofsulfide" }, "dbo:inchi": "InChI=1S/H2S/h1H2", "skos:exactMatch": { "@id": "wise:CAS_7783-06-4" }, "dbo:formula": "H2S", "dbo:smiles": "S", "rdfs:seeAlso": { "@id": "compound:402" }, "dbo:iupacName": { "@language": "en", "@value": "hydrogen sulfide" }, "dbo:pubchem": { "@value": "402", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000555" } }, { "@id": "csc:ZMXIYERNXPIYFR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "14315", "@type": "xsd:int" }, "skos:notation": "1C2yNaf", "dbo:casNumber": [ "1127-76-0", "27138-19-8" ], "skos:prefLabel": { "@language": "nl", "@value": "1-ethylnaftaleen" }, "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": { "@language": "en", "@value": "1-Ethylnaphthalene" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "ZMXIYERNXPIYFR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCC1=CC=CC2=CC=CC=C21", "rdfs:seeAlso": { "@id": "compound:14315" } }, { "@id": "csc:UREBDLICKHMUKA-CXSFZGCWSA-N", "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:casNumber": [ "23495-06-9", "50-02-2", "8054-59-9", "137098-19-2" ], "skos:notation": "dexmtsn", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "dexamethason" }, "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "dbp:inchikey": "UREBDLICKHMUKA-CXSFZGCWSA-N", "dbo:pubchem": { "@value": "5743", "@type": "xsd:int" }, "dbo:smiles": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5743" }, "dbo:iupacName": { "@language": "en", "@value": "(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" } }, { "@id": "csc:YNWVFADWVLCOPU-MDWZMJQESA-N", "dbo:casNumber": [ "76714-83-5", "83657-22-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6436604", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "YNWVFADWVLCOPU-MDWZMJQESA-N", "rdfs:seeAlso": { "@id": "compound:6436604" }, "dbo:smiles": "CC(C)(C)C(C(=CC1=CC=C(C=C1)Cl)N2C=NC=N2)O", "skos:notation": "uncnzl", "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:formula": "C15H18ClN3O", "skos:prefLabel": { "@language": "nl", "@value": "uniconazool" }, "skos:broader": { "@id": "csc:CHEMONTID_0002754" }, "dbo:iupacName": { "@language": "en", "@value": "(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol" } }, { "@id": "csc:XRHVZWWRFMCBAZ-UHFFFAOYSA-L", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "disodium 7-oxabicyclo[2.2.1]heptane-5,6-dicarboxylate" }, "dbp:inchikey": "XRHVZWWRFMCBAZ-UHFFFAOYSA-L", "skos:notation": "endtl", "dbo:casNumber": [ "11096-76-7", "145-73-3", "129-67-9" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:8519" }, "skos:broader": { "@id": "csc:CHEMONTID_0000346" }, "dbo:pubchem": { "@value": "8519", "@type": "xsd:int" }, "dbo:smiles": "C1CC2C(C(C1O2)C(=O)[O-])C(=O)[O-].[Na+].[Na+]", "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", "skos:prefLabel": { "@language": "nl", "@value": "endothal" } }, { "@id": "csc:ISXSCDLOGDJUNJ-UHFFFAOYSA-N", "dbo:casNumber": [ "1663-39-4", "782475-36-9" ], "dbo:formula": "C7H12O2", "dbo:pubchem": { "@value": "15458", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C7H12O2/c1-5-6(8)9-7(2,3)4/h5H,1H2,2-4H3", "dbp:inchikey": "ISXSCDLOGDJUNJ-UHFFFAOYSA-N", "skos:notation": "ttC4yaclt", "dbo:iupacName": { "@language": "en", "@value": "tert-butyl prop-2-enoate" }, "dbo:smiles": "CC(C)(C)OC(=O)C=C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004452" }, "skos:prefLabel": { "@language": "nl", "@value": "tertiair-butylacrylaat" }, "rdfs:seeAlso": { "@id": "compound:15458" } }, { "@id": "csc:UZUFPBIDKMEQEQ-UHFFFAOYSA-N", "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:formula": "C9HF17O2", "skos:altLabel": [ { "@language": "nl", "@value": "perfluornonaanzuur" }, { "@language": "nl", "@value": "perfluor-n-nonaanzuur (pfna)" }, { "@language": "nl", "@value": "perfluor-n-nonaanzuur" } ], "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", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "PFNA", "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid" }, "dbo:pubchem": { "@value": "67821", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:67821" }, "dbo:casNumber": "375-95-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluornonaanzuur (pfna)" }, "skos:broader": { "@id": "csc:CHEMONTID_0003958" } }, { "@id": "csc:FZXISNSWEXTPMF-UHFFFAOYSA-N", "skos:notation": "terC4yazne", "dbo:pubchem": { "@value": "22206", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001693" }, "dbo:formula": "C9H16ClN5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:22206" }, "dbo:smiles": "CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C", "dbo:casNumber": [ "63026-57-3", "5915-41-3" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_5915-41-3" }, "skos:altLabel": { "@language": "nl", "@value": "terbuthylazine" }, "dbo:iupacName": { "@language": "en", "@value": "N-tert-butyl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" }, "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)", "dbp:inchikey": "FZXISNSWEXTPMF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "terbutylazine" } }, { "@id": "csc:IISBACLAFKSPIT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "37808-08-5", "27360-89-0", "137885-53-1", "27100-33-0", "28106-82-3", "80-05-7" ], "skos:notation": "bisFolA", "skos:altLabel": [ { "@language": "nl", "@value": "bisfenol-a" }, { "@language": "nl", "@value": "bisfenol a" } ], "dbo:smiles": "CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O", "skos:broader": { "@id": "csc:CHEMONTID_0000143" }, "dbo:iupacName": { "@language": "en", "@value": "4-[2-(4-hydroxyphenyl)propan-2-yl]phenol" }, "skos:prefLabel": { "@language": "nl", "@value": "bisfenol-A" }, "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:pubchem": { "@value": "6623", "@type": "xsd:int" }, "dbo:formula": "C15H16O2", "dbp:inchikey": "IISBACLAFKSPIT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6623" }, "skos:exactMatch": { "@id": "wise:CAS_80-05-7" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-methyl-4-propan-2-ylbenzene" }, "skos:altLabel": [ { "@language": "nl", "@value": "p-isopropyltolueen" }, { "@language": "nl", "@value": "para-isopropyltolueen" } ], "rdfs:seeAlso": { "@id": "compound:7463" }, "skos:notation": "1iC3y4C1yBen", "dbo:pubchem": { "@value": "7463", "@type": "xsd:int" }, "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", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000051" }, "skos:exactMatch": { "@id": "wise:CAS_99-87-6" }, "skos:prefLabel": { "@language": "nl", "@value": "1-isopropyl-4-methyl-benzeen" }, "dbo:smiles": "CC1=CC=C(C=C1)C(C)C", "dbp:inchikey": "HFPZCAJZSCWRBC-UHFFFAOYSA-N" }, { "@id": "csc:YKAVHPRGGAUFDN-JTQLBUQXSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "23893-13-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:pubchem": { "@value": "83949", "@type": "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", "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "dbp:inchikey": "YKAVHPRGGAUFDN-JTQLBUQXSA-N", "skos:prefLabel": { "@language": "nl", "@value": "anhydro-erythromycine" }, "skos:notation": "anHertmcne", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbo:formula": "C37H65NO12", "rdfs:seeAlso": { "@id": "compound:83949" } }, { "@id": "csc:KUCPUSUXIGWHFB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "di(phenyl)tin" }, "dbo:formula": "C12H10Sn", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C(C=C1)[Sn]C2=CC=CC=C2", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:casNumber": [ "6381-06-2", "1011-95-6" ], "dbp:inchikey": "KUCPUSUXIGWHFB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:70535" }, "dbo:inchi": "InChI=1S/2C6H5.Sn/c2*1-2-4-6-5-3-1;/h2*1-5H;", "skos:prefLabel": { "@language": "nl", "@value": "difenyltin" }, "dbo:pubchem": { "@value": "70535", "@type": "xsd:int" } }, { "@id": "csc:NUKZAGXMHTUAFE-UHFFFAOYSA-N", "dbo:casNumber": "106-70-7", "dbo:formula": "C7H14O2", "rdfs:seeAlso": { "@id": "compound:7824" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCCCCC(=O)OC", "dbp:inchikey": "NUKZAGXMHTUAFE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "methylhexylaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0003417" }, "skos:notation": "C1yC6yat", "dbo:iupacName": { "@language": "en", "@value": "Methyl hexanoate" }, "dbo:inchi": "InChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3", "dbo:pubchem": { "@value": "7824", "@type": "xsd:int" } }, { "@id": "csc:OYEHPCDNVJXUIW-AHCXROLUSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[Pu]", "dbp:inchikey": "OYEHPCDNVJXUIW-AHCXROLUSA-N", "dbo:pubchem": { "@value": "104728", "@type": "xsd:int" }, "dbo:casNumber": "14119-33-6", "dbo:formula": "Pu", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "plutonium-240" }, "rdfs:seeAlso": { "@id": "compound:104728" }, "skos:notation": "Pu240", "dbo:inchi": "InChI=1S/Pu/i1-4", "skos:prefLabel": { "@language": "nl", "@value": "plutonium 240" }, "skos:broader": { "@id": "csc:CHEMONTID_0000430" } }, { "@id": "csc:LFNLGNPSGWYGGD-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "23933", "@type": "xsd:int" }, "dbo:casNumber": [ "22537-61-7", "22541-66-8", "7439-99-8" ], "dbo:iupacName": { "@language": "en", "@value": "NEPTUNIUM" }, "dbo:smiles": "[Np]", "skos:prefLabel": { "@language": "nl", "@value": "neptunium" }, "dbo:formula": "Np", "dbp:inchikey": "LFNLGNPSGWYGGD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23933" }, "skos:notation": "Np", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Np", "skos:broader": { "@id": "csc:CHEMONTID_0000430" } }, { "@id": "csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_298-00-0" }, "dbo:casNumber": [ "37359-35-6", "298-00-0", "63653-66-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "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", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:4130" }, "dbo:smiles": "COP(=S)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]", "dbo:pubchem": { "@value": "4130", "@type": "xsd:int" }, "dbp:inchikey": "RLBIQVVOMOPOHC-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "methylparathion" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "parathion-methyl" }, "skos:notation": "C1yprton", "dbo:iupacName": { "@language": "en", "@value": "dimethoxy-(4-nitrophenoxy)-sulfanylidenephosphorane" }, "dbo:formula": "C8H10NO5PS" }, { "@id": "csc:KLMCZVJOEAUDNE-IGMARMGPSA-N", "dbo:pubchem": { "@value": "6337087", "@type": "xsd:int" }, "dbp:inchikey": "KLMCZVJOEAUDNE-IGMARMGPSA-N", "dbo:inchi": "InChI=1S/Fr/i1+0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "Fr223", "rdfs:seeAlso": { "@id": "compound:6337087" }, "dbo:iupacName": { "@language": "en", "@value": "francium-223" }, "dbo:smiles": "[Fr]", "dbo:casNumber": "15756-98-6", "dbo:formula": "Fr", "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "skos:prefLabel": { "@language": "nl", "@value": "francium 223" } }, { "@id": "csc:BDOSMKKIYDKNTQ-OIOBTWANSA-N", "dbo:smiles": "[Cd]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "BDOSMKKIYDKNTQ-OIOBTWANSA-N", "dbo:iupacName": { "@language": "en", "@value": "cadmium-109" }, "dbo:inchi": "InChI=1S/Cd/i1-3", "skos:prefLabel": { "@language": "nl", "@value": "cadmium 109" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:formula": "Cd", "skos:notation": "Cd109", "dbo:casNumber": "14109-32-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:104782" }, "dbo:pubchem": { "@value": "104782", "@type": "xsd:int" } }, { "@id": "csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "5436-43-1", "skos:exactMatch": { "@id": "wise:CAS_5436-43-1" }, "dbp:inchikey": "XYBSIYMGXVUVGY-UHFFFAOYSA-N", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "skos:altLabel": [ { "@language": "nl", "@value": "bde 47" }, { "@language": "nl", "@value": "2,2',4,4'-tetrabroomdifenylether" } ], "dbo:pubchem": { "@value": "95170", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,4'-tetrabroomdifenylether (bde47)" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-dibromo-1-(2,4-dibromophenoxy)benzene" }, "dbo:formula": "C12H6Br4O", "skos:notation": "PBDE47", "rdfs:seeAlso": { "@id": "compound:95170" }, "dbo:smiles": "C1=CC(=C(C=C1Br)Br)OC2=C(C=C(C=C2)Br)Br" }, { "@id": "csc:DYQBMRZOOXYHIM-NCKOGSTASA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "64-75-5", "dbo:formula": "C22H25ClN2O8", "skos:prefLabel": { "@language": "nl", "@value": "tetracycline hydrochloride" }, "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:pubchem": { "@value": "5282243", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5282243" }, "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", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "skos:notation": "T4cycnHCl" }, { "@id": "csc:IJFPVINAQGWBRJ-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "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": { "@language": "en", "@value": "bis(6-methylheptyl) benzene-1,2-dicarboxylate" }, "dbo:casNumber": [ "71097-28-4", "1330-91-2", "27554-26-3", "25103-50-8", "41375-90-0" ], "rdfs:seeAlso": { "@id": "compound:33934" }, "dbo:pubchem": { "@value": "33934", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "DiC8yFt", "skos:prefLabel": { "@language": "nl", "@value": "di-isooctylftalaat" }, "dbo:formula": "C24H38O4", "dbp:inchikey": "IJFPVINAQGWBRJ-UHFFFAOYSA-N" }, { "@id": "csc:IPRJXAGUEGOFGG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:19241" }, "dbo:pubchem": { "@value": "19241", "@type": "xsd:int" }, "skos:notation": "C4yBensfAd", "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", "dbp:inchikey": "IPRJXAGUEGOFGG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C10H15NO2S", "dbo:iupacName": { "@language": "en", "@value": "N-BUTYLBENZENESULFONAMIDE" }, "dbo:smiles": "CCCCNS(=O)(=O)C1=CC=CC=C1", "skos:broader": { "@id": "csc:CHEMONTID_0000031" }, "skos:prefLabel": { "@language": "nl", "@value": "butylbenzeensulfonamide" }, "dbo:casNumber": "3622-84-2" }, { "@id": "csc:OSUHJPCHFDQAIT-UHFFFAOYSA-N", "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", "skos:notation": "quizlfC2y", "dbo:pubchem": { "@value": "53518", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "dbo:casNumber": [ "89468-49-5", "76578-14-8" ], "skos:prefLabel": { "@language": "nl", "@value": "quizalofop-ethyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" }, "dbo:formula": "C19H17ClN2O4", "dbo:smiles": "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl", "rdfs:seeAlso": { "@id": "compound:53518" }, "dbp:inchikey": "OSUHJPCHFDQAIT-UHFFFAOYSA-N" }, { "@id": "csc:GUMCAKKKNKYFEB-UHFFFAOYSA-N", "dbo:casNumber": "636-30-6", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "GUMCAKKKNKYFEB-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2,4,5-trichlooraniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "rdfs:seeAlso": { "@id": "compound:12487" }, "dbo:inchi": "InChI=1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2", "dbo:formula": "C6H4Cl3N", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)N", "dbo:iupacName": { "@language": "en", "@value": "2,4,5-Trichloroaniline" }, "dbo:pubchem": { "@value": "12487", "@type": "xsd:int" }, "skos:notation": "245TClAn" }, { "@id": "csc:SMDHCQAYESWHAE-UHFFFAOYSA-N", "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:formula": "C13H16F3N3O4", "dbo:casNumber": "1861-40-1", "skos:broader": { "@id": "csc:CHEMONTID_0003968" }, "dbo:pubchem": { "@value": "2319", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_1861-40-1" }, "skos:notation": "benfn", "dbo:iupacName": { "@language": "en", "@value": "N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:2319" }, "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:prefLabel": { "@language": "nl", "@value": "benefin" } }, { "@id": "csc:LMVPQMGRYSRMIW-KRWDZBQOSA-N", "skos:notation": "fenmdn", "dbo:iupacName": { "@language": "en", "@value": "(5S)-5-methyl-2-methylsulfanyl-5-phenyl-3-(phenylamino)imidazol-4-one" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000060" }, "dbo:smiles": "CC1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3", "dbo:casNumber": "161326-34-7", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "10403199", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "fenamidon" }, "rdfs:seeAlso": { "@id": "compound:10403199" }, "dbo:formula": "C17H17N3OS", "dbp:inchikey": "LMVPQMGRYSRMIW-KRWDZBQOSA-N" }, { "@id": "csc:JTEDVYBZBROSJT-UHFFFAOYSA-N", "skos:notation": "indlbtzr", "dbo:smiles": "C1=CC=C2C(=C1)C(=CN2)CCCC(=O)O", "dbo:casNumber": [ "133-32-4", "111150-79-9", "65216-51-5" ], "dbp:inchikey": "JTEDVYBZBROSJT-UHFFFAOYSA-N", "dbo:formula": "C12H13NO2", "skos:prefLabel": { "@language": "nl", "@value": "indolylboterzuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "8617", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004196" }, "dbo:iupacName": { "@language": "en", "@value": "4-(1H-indol-3-yl)butanoic acid" }, "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)", "rdfs:seeAlso": { "@id": "compound:8617" } }, { "@id": "csc:VHUUQVKOLVNVRT-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "14923", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "VHUUQVKOLVNVRT-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "azanium hydroxide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "16393-49-0", "1336-21-6", "125888-87-1", "132103-60-7" ], "dbo:inchi": "InChI=1S/H3N.H2O/h1H3;1H2", "skos:broader": { "@id": "csc:CHEMONTID_0001055" }, "skos:prefLabel": { "@language": "nl", "@value": "ammoniumhydroxide" }, "dbo:formula": "H5NO", "dbo:smiles": "[NH4+].[OH-]", "rdfs:seeAlso": { "@id": "compound:14923" }, "skos:notation": "NH4OH" }, { "@id": "csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "2764", "@type": "xsd:int" }, "dbo:casNumber": "85721-33-1", "dbo:smiles": "C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O", "dbo:formula": "C17H18FN3O3", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:exactMatch": { "@id": "wise:CAS_85721-33-1" }, "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "dbp:inchikey": "MYSWGUAQZAJSOK-UHFFFAOYSA-N", "skos:notation": "cipfxcne", "dbo:iupacName": { "@language": "en", "@value": "1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:2764" }, "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)", "skos:prefLabel": { "@language": "nl", "@value": "ciprofloxacine" } }, { "@id": "csc:ZJMWRROPUADPEA-UHFFFAOYSA-N", "dbo:formula": "C10H14", "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbo:pubchem": { "@value": "8680", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "secundair-butylbenzeen" }, "dbo:casNumber": [ "135-98-8", "36383-15-0", "68411-44-9", "5787-28-0" ], "skos:exactMatch": { "@id": "wise:CAS_135-98-8" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": [ "sC4yBen", "secC4yBen" ], "dbo:iupacName": { "@language": "en", "@value": "butan-2-ylbenzene" }, "dbo:inchi": "InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3", "dbp:inchikey": "ZJMWRROPUADPEA-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "butylbenzeen (vertakt en lineair)" }, { "@language": "nl", "@value": "sec-butylbenzeen" } ], "dbo:smiles": "CCC(C)C1=CC=CC=C1", "rdfs:seeAlso": { "@id": "compound:8680" } }, { "@id": "csc:GWLLTEXUIOFAFE-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:32241" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:prefLabel": { "@language": "nl", "@value": "2,6-diisopropylnaftaleen" }, "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", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2,6-di(propan-2-yl)naphthalene" }, "dbp:inchikey": "GWLLTEXUIOFAFE-UHFFFAOYSA-N", "dbo:formula": "C16H20", "skos:notation": "26DiC3yNaf", "dbo:casNumber": "24157-81-1", "dbo:pubchem": { "@value": "32241", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)C1=CC2=C(C=C1)C=C(C=C2)C(C)C" }, { "@id": "csc:FSAVDKDHPDSCTO-XYOKQWHBSA-N", "skos:altLabel": { "@language": "nl", "@value": "beta-chloorfenvinfos" }, "dbo:iupacName": { "@language": "en", "@value": "[(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:exactMatch": { "@id": "wise:CAS_18708-86-6" }, "dbo:formula": "C12H14Cl3O4P", "dbo:pubchem": { "@value": "5377791", "@type": "xsd:int" }, "dbp:inchikey": "FSAVDKDHPDSCTO-XYOKQWHBSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "trans-chloorfenvinfos" }, "dbo:casNumber": "18708-86-6", "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+", "rdfs:seeAlso": { "@id": "compound:5377791" }, "skos:notation": "bClfvfs" }, { "@id": "csc:CSWIKHNSBZVWNQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide" }, "dbo:casNumber": "106700-29-2", "dbo:smiles": "CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1", "skos:prefLabel": { "@language": "nl", "@value": "pethoxamid" }, "dbo:pubchem": { "@value": "6450826", "@type": "xsd:int" }, "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", "dbp:inchikey": "CSWIKHNSBZVWNQ-UHFFFAOYSA-N", "dbo:formula": "C16H22ClNO2", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "rdfs:seeAlso": { "@id": "compound:6450826" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "petoamd", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:FEVBMCJUKWWWBT-BNIOFCGNSA-N", "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", "dbo:formula": "C52H71N7O12", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "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:pubchem": { "@value": "6442256", "@type": "xsd:int" }, "dbo:casNumber": "154037-70-4", "dbp:inchikey": "FEVBMCJUKWWWBT-BNIOFCGNSA-N", "skos:prefLabel": { "@language": "nl", "@value": "microcystine-lf" }, "skos:notation": "MC-LF", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6442256" }, "dbo:iupacName": { "@language": "en", "@value": "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" }, "skos:broader": { "@id": "csc:CHEMONTID_0002010" }, "skos:altLabel": { "@language": "nl", "@value": "microcystine-LF" } }, { "@id": "csc:XDOTVMNBCQVZKG-MKICQXMISA-N", "skos:notation": "toDcb", "dbo:iupacName": { "@language": "en", "@value": "(1-methylsulfanylethylideneamino) N-methyl-N-[methyl-(1-methylsulfanylethylideneamino)oxycarbonylamino]sulfanylcarbamate" }, "dbo:casNumber": [ "59669-26-0", "65154-62-3", "72424-66-9", "78876-59-2" ], "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:formula": "C10H18N4O4S3", "skos:prefLabel": { "@language": "nl", "@value": "thiodicarb" }, "skos:broader": { "@id": "csc:CHEMONTID_0000364" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XDOTVMNBCQVZKG-MKICQXMISA-N", "dbo:pubchem": { "@value": "9601227", "@type": "xsd:int" }, "dbo:smiles": "CC(=NOC(=O)N(C)SN(C)C(=O)ON=C(C)SC)SC", "rdfs:seeAlso": { "@id": "compound:9601227" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ] }, { "@id": "csc:MHAJPDPJQMAIIY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "784", "@type": "xsd:int" }, "dbo:casNumber": [ "7722-84-1", "37355-84-3", "8007-30-5", "66554-50-5", "218625-72-0" ], "skos:prefLabel": { "@language": "nl", "@value": "waterstofperoxide" }, "dbo:smiles": "OO", "dbo:inchi": "InChI=1S/H2O2/c1-2/h1-2H", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "H2O2", "rdfs:seeAlso": { "@id": "compound:784" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "skos:notation": "H2O2", "dbo:iupacName": { "@language": "en", "@value": "hydrogen peroxide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MHAJPDPJQMAIIY-UHFFFAOYSA-N" }, { "@id": "csc:ZZUFCTLCJUWOSV-UHFFFAOYSA-N", "dbp:inchikey": "ZZUFCTLCJUWOSV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid" }, "dbo:pubchem": { "@value": "3440", "@type": "xsd:int" }, "dbo:formula": "C12H11ClN2O5S", "dbo:casNumber": "54-31-9", "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "skos:prefLabel": { "@language": "nl", "@value": "furosemide" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:3440" }, "skos:notation": "fursmde", "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:smiles": "C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl" }, { "@id": "csc:IUJDSEJGGMCXSG-UHFFFAOYSA-N", "dbo:casNumber": [ "76-75-5", "59709-53-4" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCC(C)C1(C(=O)NC(=NC1=O)S)CC", "skos:notation": "toptl", "skos:broader": { "@id": "csc:CHEMONTID_0001122" }, "dbo:iupacName": { "@language": "en", "@value": "5-ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione" }, "skos:prefLabel": { "@language": "nl", "@value": "thiopental" }, "dbo:pubchem": { "@value": "1244", "@type": "xsd:int" }, "dbp:inchikey": "IUJDSEJGGMCXSG-UHFFFAOYSA-N", "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:formula": "C11H18N2O2S", "rdfs:seeAlso": { "@id": "compound:1244" } }, { "@id": "csc:TTZLKXKJIMOHHG-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:13762" }, "dbp:inchikey": "TTZLKXKJIMOHHG-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": [ { "@language": "nl", "@value": "benzyldimethyldecylammoniumchloride" }, { "@language": "nl", "@value": "C8-C18-alkylbenzyldimethylammoniumchloride" } ], "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": [ "benzDC1yC10y", "C8C18akbzDC1" ], "dbo:formula": "C19H34ClN", "dbo:casNumber": [ "63449-41-2", "965-32-2" ], "skos:broader": { "@id": "csc:CHEMONTID_0003977" }, "skos:prefLabel": { "@language": "nl", "@value": "c8-c18-alkylbenzyldimethylammoniumchloride" }, "dbo:pubchem": { "@value": "13762", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "benzyl-decyl-dimethylazanium chloride" }, "dbo:smiles": "CCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]" }, { "@id": "csc:UXADOQPNKNTIHB-UHFFFAOYSA-N", "dbo:casNumber": [ "88025-82-5", "74115-24-5" ], "skos:notation": "chloftzn", "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:smiles": "C1=CC=C(C(=C1)C2=NN=C(N=N2)C3=CC=CC=C3Cl)Cl", "dbp:inchikey": "UXADOQPNKNTIHB-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C14H8Cl2N4", "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbo:iupacName": { "@language": "en", "@value": "3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine" }, "skos:prefLabel": { "@language": "nl", "@value": "chlofentezin" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "73670", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:73670" } }, { "@id": "csc:XCSGHNKDXGYELG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "1,2-difenoxyethaan" }, "rdfs:seeAlso": { "@id": "compound:7713" }, "dbo:smiles": "C1=CC=C(C=C1)OCCOC2=CC=CC=C2", "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:formula": "C14H14O2", "dbp:inchikey": "XCSGHNKDXGYELG-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7713", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-(phenoxy)ethoxybenzene" }, "dbo:casNumber": "104-66-5", "skos:notation": "12DfenOxC2a" }, { "@id": "csc:PLDUPXSUYLZYBN-UHFFFAOYSA-N", "dbo:casNumber": [ "69-23-8", "47646-09-3" ], "dbo:formula": "C22H26F3N3OS", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO", "rdfs:seeAlso": { "@id": "compound:3372" }, "skos:broader": { "@id": "csc:CHEMONTID_0000310" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PLDUPXSUYLZYBN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "flufenazine" }, "skos:notation": "flufnzne", "dbo:iupacName": { "@language": "en", "@value": "2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol" }, "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:pubchem": { "@value": "3372", "@type": "xsd:int" } }, { "@id": "csc:JEEQUUSFXYRPRK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H22/c1-5-9(3)7-8-10(4)6-2/h9-10H,5-8H2,1-4H3", "dbo:casNumber": "15869-94-0", "dbo:pubchem": { "@value": "85927", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004620" }, "dbp:inchikey": "JEEQUUSFXYRPRK-UHFFFAOYSA-N", "dbo:formula": "C10H22", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "3,6-dimethyloctaan" }, "rdfs:seeAlso": { "@id": "compound:85927" }, "skos:notation": "36DC1yC8a", "dbo:iupacName": { "@language": "en", "@value": "3,6-Dimethyloctane" }, "dbo:smiles": "CCC(C)CCC(C)CC" }, { "@id": "csc:GCSHTDCBGCURHU-UHFFFAOYSA-N", "dbo:formula": "C4HF7O4", "dbo:casNumber": "39492-88-1", "skos:notation": "PFO2HxA", "dbp:inchikey": "GCSHTDCBGCURHU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:inchi": "InChI=1S/C4HF7O4/c5-2(6,1(12)13)14-4(10,11)15-3(7,8)9/h(H,12,13)", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-[difluoro(trifluoromethoxy)methoxy]-2,2-difluoroacetic acid" }, "dbo:pubchem": { "@value": "138394354", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:138394354" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-3,5-dioxahexaanzuur " }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(=O)(C(OC(OC(F)(F)F)(F)F)(F)F)O" }, { "@id": "csc:POOSGDOYLQNASK-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCCCCCCCCCCCCCCCCCC", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C24H50", "dbp:inchikey": "POOSGDOYLQNASK-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Tetracosane" }, "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:casNumber": "646-31-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "rdfs:seeAlso": { "@id": "compound:12592" }, "skos:notation": "C24a", "dbo:pubchem": { "@value": "12592", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "tetracosaan" } }, { "@id": "csc:XNLICIUVMPYHGG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2-pentanon" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "2C5on", "dbo:iupacName": { "@language": "en", "@value": "Pentan-2-one" }, "dbo:pubchem": { "@value": "7895", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "dbp:inchikey": "XNLICIUVMPYHGG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "27154-67-2", "107-87-9" ], "rdfs:seeAlso": { "@id": "compound:7895" }, "dbo:smiles": "CCCC(=O)C", "dbo:inchi": "InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3", "dbo:formula": "C5H10O" }, { "@id": "csc:KKOYBOFPUBHPFO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "25355", "@type": "xsd:int" }, "dbo:casNumber": "10548-10-4", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "dbo:smiles": "CCOP(=S)(OCC)SCS(=O)C(C)(C)C", "dbo:iupacName": { "@language": "en", "@value": "tert-butylsulfinylmethylsulfanyl-diethoxy-sulfanylidenephosphorane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:25355" }, "dbp:inchikey": "KKOYBOFPUBHPFO-UHFFFAOYSA-N", "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", "skos:prefLabel": { "@language": "nl", "@value": "terbufos-sulfoxide" }, "skos:notation": "terbfSO" }, { "@id": "csc:DNJIEGIFACGWOD-UHFFFAOYSA-N", "dbo:smiles": "CCS", "dbo:inchi": "InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3", "rdfs:seeAlso": { "@id": "compound:6343" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "DNJIEGIFACGWOD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Ethanethiol" }, "dbo:casNumber": [ "75-08-1", "811-51-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0001212" }, "dbo:pubchem": { "@value": "6343", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "ethaanthiol" }, "skos:notation": "C2atol", "dbo:formula": "C2H6S" }, { "@id": "csc:ZSLUVFAKFWKJRC-YPZZEJLDSA-N", "rdfs:seeAlso": { "@id": "compound:61723" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "[Th]", "skos:notation": "Th230", "dbo:formula": "Th", "dbo:casNumber": "14269-63-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "thorium 230" }, "dbo:iupacName": { "@language": "en", "@value": "thorium-230" }, "dbo:inchi": "InChI=1S/Th/i1-2", "dbo:pubchem": { "@value": "61723", "@type": "xsd:int" }, "dbp:inchikey": "ZSLUVFAKFWKJRC-YPZZEJLDSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000430" } }, { "@id": "csc:WYWIFABBXFUGLM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004212" }, "dbo:iupacName": { "@language": "en", "@value": "6-tert-butyl-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2,4-dimethylphenol" }, "dbo:formula": "C16H24N2O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "oxymetazoline" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:4636" }, "dbo:smiles": "CC1=CC(=C(C(=C1CC2=NCCN2)C)O)C(C)(C)C", "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:pubchem": { "@value": "4636", "@type": "xsd:int" }, "dbp:inchikey": "WYWIFABBXFUGLM-UHFFFAOYSA-N", "skos:notation": "Oxmtzlne", "dbo:casNumber": "1491-59-4" }, { "@id": "csc:MEBQXILRKZHVCX-UHFFFAOYSA-N", "skos:notation": "metdton", "dbo:iupacName": { "@language": "en", "@value": "3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H11N2O4PS3", "skos:broader": { "@id": "csc:CHEMONTID_0004770" }, "rdfs:seeAlso": { "@id": "compound:13709" }, "dbo:smiles": "COC1=NN(C(=O)S1)CSP(=S)(OC)OC", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "13709", "@type": "xsd:int" }, "dbo:casNumber": "950-37-8", "dbp:inchikey": "MEBQXILRKZHVCX-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_950-37-8" }, "skos:altLabel": { "@language": "nl", "@value": "methidathion" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "methidation" } }, { "@id": "csc:KNKRKFALVUDBJE-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichloropropane" }, "dbo:formula": "C3H6Cl2", "dbo:casNumber": [ "26198-63-0", "78-87-5", "68390-96-5" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "12DClC3a", "dbo:inchi": "InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3", "dbp:inchikey": "KNKRKFALVUDBJE-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorpropaan" }, "dbo:pubchem": { "@value": "6564", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(CCl)Cl", "skos:exactMatch": { "@id": "wise:CAS_78-87-5" }, "rdfs:seeAlso": { "@id": "compound:6564" } }, { "@id": "csc:QPLDLSVMHZLSFG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "koperoxide" }, "dbp:inchikey": "QPLDLSVMHZLSFG-UHFFFAOYSA-N", "dbo:casNumber": [ "1317-38-0", "185461-92-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cu.O", "skos:broader": { "@id": "csc:CHEMONTID_0000538" }, "dbo:formula": "CuO", "dbo:smiles": "O=[Cu]", "dbo:iupacName": { "@language": "en", "@value": "oxocopper" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "14829", "@type": "xsd:int" }, "skos:notation": "CuO", "rdfs:seeAlso": { "@id": "compound:14829" } }, { "@id": "csc:XJCLWVXTCRQIDI-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003936" }, "dbo:smiles": "CCN(CC)C(=S)SCC(=C)Cl", "dbo:casNumber": "95-06-7", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "sulfalt", "dbo:inchi": "InChI=1S/C8H14ClNS2/c1-4-10(5-2)8(11)12-6-7(3)9/h3-6H2,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "2-chloroprop-2-enyl diethylaminomethanedithioate" }, "rdfs:seeAlso": { "@id": "compound:7216" }, "dbo:formula": "C8H14ClNS2", "skos:prefLabel": { "@language": "nl", "@value": "sulfallaat" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7216", "@type": "xsd:int" }, "dbp:inchikey": "XJCLWVXTCRQIDI-UHFFFAOYSA-N" }, { "@id": "csc:NJIZUWGMNCUKGU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:64952" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "NJIZUWGMNCUKGU-UHFFFAOYSA-N", "dbo:casNumber": [ "5572-57-6", "127-74-2" ], "dbo:iupacName": { "@language": "en", "@value": "N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide" }, "dbo:smiles": "CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2", "skos:broader": { "@id": "csc:CHEMONTID_0000031" }, "skos:notation": "N4actsfdazne", "skos:prefLabel": { "@language": "nl", "@value": "n(4)-acetylsulfadiazine" }, "dbo:formula": "C12H12N4O3S", "dbo:pubchem": { "@value": "64952", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "skos:altLabel": { "@language": "nl", "@value": "N(4)-acetylsulfadiazine" } }, { "@id": "csc:RFCAUADVODFSLZ-UHFFFAOYSA-N", "dbo:smiles": "C(C(F)(F)Cl)(F)(F)F", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "monochloorpentafluorethaan" }, "dbo:formula": "C2ClF5", "dbp:inchikey": "RFCAUADVODFSLZ-UHFFFAOYSA-N", "dbo:casNumber": [ "76-15-3", "12770-91-1" ], "dbo:inchi": "InChI=1S/C2ClF5/c3-1(4,5)2(6,7)8", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6430", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004521" }, "skos:notation": "CFK115", "rdfs:seeAlso": { "@id": "compound:6430" }, "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-1,1,2,2,2-pentafluoroethane" } }, { "@id": "csc:GZCRRIHWUXGPOV-OUBTZVSYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "skos:notation": "Tb160", "dbo:smiles": "[Tb]", "dbo:casNumber": "13981-29-8", "dbo:inchi": "InChI=1S/Tb/i1+1", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Tb", "dbo:pubchem": { "@value": "161008", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:161008" }, "dbo:iupacName": { "@language": "en", "@value": "terbium-160" }, "skos:prefLabel": { "@language": "nl", "@value": "terbium 160" }, "dbp:inchikey": "GZCRRIHWUXGPOV-OUBTZVSYSA-N" }, { "@id": "csc:ZAFYATHCZYHLPB-UHFFFAOYSA-N", "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", "dbp:inchikey": "ZAFYATHCZYHLPB-UHFFFAOYSA-N", "dbo:casNumber": "82626-48-0", "dbo:formula": "C19H21N3O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "5732", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5732" }, "skos:broader": { "@id": "csc:CHEMONTID_0002327" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[3,2-a]pyridin-3-yl]acetamide" }, "skos:prefLabel": { "@language": "nl", "@value": "zolpidem" }, "skos:notation": "zolpdm" }, { "@id": "csc:HNXNKTMIVROLTK-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "N,N-dimethyldecanamide" }, "skos:prefLabel": { "@language": "nl", "@value": "n,n-dimethyldecanamide" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-Dimethyldecanamide" }, "dbp:inchikey": "HNXNKTMIVROLTK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H25NO/c1-4-5-6-7-8-9-10-11-12(14)13(2)3/h4-11H2,1-3H3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCCCCCCCC(=O)N(C)C", "dbo:pubchem": { "@value": "26690", "@type": "xsd:int" }, "skos:notation": "NNDC1yC10aAd", "skos:broader": { "@id": "csc:CHEMONTID_0001096" }, "dbo:casNumber": "14433-76-2", "dbo:formula": "C12H25NO", "rdfs:seeAlso": { "@id": "compound:26690" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:LTUNNEGNEKBSEH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-1-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "prosulfuron" }, "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:smiles": "CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F", "dbp:inchikey": "LTUNNEGNEKBSEH-UHFFFAOYSA-N", "dbo:formula": "C15H16F3N5O4S", "skos:broader": { "@id": "csc:CHEMONTID_0000031" }, "rdfs:seeAlso": { "@id": "compound:91751" }, "skos:notation": "prosfrn", "dbo:casNumber": "94125-34-5", "dbo:pubchem": { "@value": "91751", "@type": "xsd:int" } }, { "@id": "csc:FFSSWMQPCJRCRV-UHFFFAOYSA-N", "dbo:casNumber": [ "84087-01-4", "113875-40-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C2=NC=C(C=C21)Cl)C(=O)O)Cl", "rdfs:seeAlso": { "@id": "compound:91739" }, "dbo:iupacName": { "@language": "en", "@value": "3,7-Dichloroquinoline-8-carboxylic acid" }, "skos:notation": "quincrc", "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "dbo:formula": "C10H5Cl2NO2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "91739", "@type": "xsd:int" }, "dbp:inchikey": "FFSSWMQPCJRCRV-UHFFFAOYSA-N", "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)", "skos:prefLabel": { "@language": "nl", "@value": "quinclorac" } }, { "@id": "csc:YPNZJHFXFVLXSE-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-6-methylfenol" }, "dbo:smiles": "CC1=C(C(=CC=C1)Cl)O", "dbo:pubchem": { "@value": "6898", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001274" }, "skos:notation": "2Cl6C1yFol", "dbo:formula": "C7H7ClO", "dbo:inchi": "InChI=1S/C7H7ClO/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,1H3", "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-6-methylphenol" }, "dbp:inchikey": "YPNZJHFXFVLXSE-UHFFFAOYSA-N", "dbo:casNumber": "87-64-9", "rdfs:seeAlso": { "@id": "compound:6898" } }, { "@id": "csc:DOLQYFPDPKPQSS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004210" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dimethylaniline" }, "dbp:inchikey": "DOLQYFPDPKPQSS-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3,4-Dimethylaniline" }, "skos:notation": "34DC1yAn", "dbo:smiles": "CC1=C(C=C(C=C1)N)C", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C8H11N", "dbo:inchi": "InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "95-64-7", "rdfs:seeAlso": { "@id": "compound:7248" }, "dbo:pubchem": { "@value": "7248", "@type": "xsd:int" } }, { "@id": "csc:GEYOCULIXLDCMW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "95-54-5", "dbo:formula": "C6H8N2", "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "dbo:pubchem": { "@value": "7243", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7243" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-diaminobenzeen" }, "skos:notation": "12DAoBen", "dbo:smiles": "C1=CC=C(C(=C1)N)N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2", "dbp:inchikey": "GEYOCULIXLDCMW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "benzene-1,2-diamine" } }, { "@id": "csc:YQUQWHNMBPIWGK-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7465" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "4iC3yFol", "dbo:formula": "C9H12O", "dbo:iupacName": { "@language": "en", "@value": "4-propan-2-ylphenol" }, "dbo:casNumber": "99-89-8", "dbo:smiles": "CC(C)C1=CC=C(C=C1)O", "skos:prefLabel": { "@language": "nl", "@value": "4-isopropylfenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7465", "@type": "xsd:int" }, "dbp:inchikey": "YQUQWHNMBPIWGK-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000355" }, "dbo:inchi": "InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3" }, { "@id": "csc:QIONYIKHPASLHO-UHFFFAOYSA-M", "dbo:smiles": "C(=O)(C(Br)(Br)Br)[O-]", "dbo:casNumber": "75-96-7", "dbo:inchi": "InChI=1S/C2HBr3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1", "dbp:inchikey": "QIONYIKHPASLHO-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "6414", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "tribroomazijnzuur" }, "skos:notation": "TBrHAc", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "rdfs:seeAlso": { "@id": "compound:6414" }, "dbo:iupacName": { "@language": "en", "@value": "2,2,2-tribromoacetate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2Br3O2-" }, { "@id": "csc:LCGLNKUTAGEVQW-UHFFFAOYSA-N", "dbp:inchikey": "LCGLNKUTAGEVQW-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C2H6O/c1-3-2/h1-2H3", "skos:altLabel": { "@language": "nl", "@value": "dimethylether" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Methoxymethane" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:formula": "C2H6O", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": [ "115-10-6", "157621-61-9" ], "rdfs:seeAlso": { "@id": "compound:8254" }, "skos:notation": "DC1yEtr", "dbo:pubchem": { "@value": "8254", "@type": "xsd:int" }, "dbo:smiles": "COC", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:prefLabel": { "@language": "nl", "@value": "dimethylether " } }, { "@id": "csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:42138" }, "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,7,8-pentachloordibenzofuraan" }, { "@language": "nl", "@value": "1,2,3,7,8-pentachloordibenzofuraan (pecdf)" }, { "@language": "nl", "@value": " 1,2,3,7,8-pentachloordibenzofuraan" } ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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", "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "57117-41-6", "dbo:formula": "C12H3Cl5O", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,7,8-PENTACHLORODIBENZOFURAN" }, "dbo:pubchem": { "@value": "42138", "@type": "xsd:int" }, "dbp:inchikey": "SBMIVUVRFPGOEB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_57117-41-6" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,7,8-pentachloordibenzofuran" }, "skos:notation": "PCDF94", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C(=C23)Cl)Cl)Cl" }, { "@id": "csc:LNJNFVJKDJYTEU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "87130-20-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCOC1=C(C=C(C=C1)NC(=O)OC(C)C)OCC", "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:formula": "C14H21NO4", "skos:prefLabel": { "@language": "nl", "@value": "diethofencarb" }, "dbp:inchikey": "LNJNFVJKDJYTEU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:91742" }, "dbo:pubchem": { "@value": "91742", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "propan-2-yl N-(3,4-diethoxyphenyl)carbamate" }, "skos:notation": "Detfcb" }, { "@id": "csc:UMKANAFDOQQUKE-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C13H19N3O6S", "skos:notation": "nitln", "dbo:smiles": "CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-]", "skos:prefLabel": { "@language": "nl", "@value": "nitralin" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "4726-14-1", "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", "rdfs:seeAlso": { "@id": "compound:20848" }, "dbo:pubchem": { "@value": "20848", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-methylsulfonyl-2,6-dinitro-N,N-dipropylaniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0003968" }, "dbp:inchikey": "UMKANAFDOQQUKE-UHFFFAOYSA-N" }, { "@id": "csc:LCFVJGUPQDGYKZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "85101-00-4", "1675-54-3", "47424-12-4", "500008-19-5", "170962-54-6", "116161-20-7" ], "skos:prefLabel": { "@language": "nl", "@value": "bisfenol A diglycidylether" }, "rdfs:seeAlso": { "@id": "compound:2286" }, "dbo:formula": "C21H24O4", "dbo:iupacName": { "@language": "en", "@value": "2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:notation": "bisFolADgcdE", "dbp:inchikey": "LCFVJGUPQDGYKZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "2286", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "bisfenol a diglycidylether" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4" }, { "@id": "csc:QMMFBGBMARGVFC-UHFFFAOYSA-N", "dbo:casNumber": "37557-96-3", "dbo:smiles": "CS(=O)(=O)C(Cl)Cl", "skos:notation": "DClC1ysfnC1a", "dbp:inchikey": "QMMFBGBMARGVFC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:101258" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C2H4Cl2O2S", "skos:broader": { "@id": "csc:CHEMONTID_0000505" }, "dbo:pubchem": { "@value": "101258", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "dichloor(methylsulfonyl)methaan" }, "dbo:inchi": "InChI=1S/C2H4Cl2O2S/c1-7(5,6)2(3)4/h2H,1H3", "dbo:iupacName": { "@language": "en", "@value": "dichloromethylsulfonylmethane" } }, { "@id": "csc:QIMMUPPBPVKWKM-UHFFFAOYSA-N", "dbo:formula": "C11H10", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-Methylnaphthalene" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylnaftaleen" }, "dbo:casNumber": [ "91-57-6", "7419-61-6" ], "dbo:smiles": "CC1=CC2=CC=CC=C2C=C1", "dbp:inchikey": "QIMMUPPBPVKWKM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:notation": "2C1yNaf", "dbo:pubchem": { "@value": "7055", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:7055" }, "dbo:inchi": "InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3" }, { "@id": "csc:MKARNSWMMBGSHX-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "35DC1yAn", "dbo:formula": "C8H11N", "skos:broader": { "@id": "csc:CHEMONTID_0004209" }, "dbo:pubchem": { "@value": "7949", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3,5-Dimethylaniline" }, "dbo:casNumber": "108-69-0", "dbp:inchikey": "MKARNSWMMBGSHX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC(=CC(=C1)N)C", "skos:prefLabel": { "@language": "nl", "@value": "3,5-dimethylaniline" }, "dbo:inchi": "InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:7949" } }, { "@id": "csc:FGLBSLMDCBOPQK-UHFFFAOYSA-N", "dbo:casNumber": [ "79-46-9", "104306-46-9" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "['2-nitropropane', 'N-oxido-N-propan-2-ylhydroxylamine', 'N,N-dihydroxypropan-2-amine']" }, "dbo:inchi": "InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "2-nitropropaan" }, "rdfs:seeAlso": { "@id": "compound:398" }, "dbo:formula": "C3H7NO2", "skos:notation": "2NO2C3a", "dbo:pubchem": { "@value": "398", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)[N+](=O)[O-]", "skos:broader": { "@id": "csc:CHEMONTID_0004117" }, "dbp:inchikey": "FGLBSLMDCBOPQK-UHFFFAOYSA-N" }, { "@id": "csc:CYEJMVLDXAUOPN-UHFFFAOYSA-N", "dbp:inchikey": "CYEJMVLDXAUOPN-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-Dodecylphenol" }, "dbo:pubchem": { "@value": "171144", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCCCCC1=CC=CC=C1O", "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", "skos:prefLabel": { "@language": "nl", "@value": "som dodecylfenol-isomeren" }, "rdfs:seeAlso": { "@id": "compound:171144" }, "skos:broader": { "@id": "csc:CHEMONTID_0004647" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "sC12yFol", "dbo:casNumber": "27193-86-8", "dbo:formula": "C18H30O" }, { "@id": "csc:PNPCRKVUWYDDST-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=CC(=C1)Cl)N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "108-42-9", "rdfs:seeAlso": { "@id": "compound:7932" }, "skos:prefLabel": { "@language": "nl", "@value": "3-chlooraniline" }, "skos:altLabel": { "@language": "nl", "@value": "m-chlooraniline" }, "dbo:inchi": "InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "dbp:inchikey": "PNPCRKVUWYDDST-UHFFFAOYSA-N", "skos:notation": "3ClAn", "dbo:pubchem": { "@value": "7932", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3-Chloroaniline" }, "dbo:formula": "C6H6ClN", "skos:exactMatch": { "@id": "wise:CAS_108-42-9" } }, { "@id": "csc:BUGBHKTXTAQXES-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7782-49-2" }, "skos:altLabel": { "@language": "nl", "@value": "Seleen (Se)" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "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" ], "rdfs:seeAlso": { "@id": "compound:6326970" }, "dbp:inchikey": "BUGBHKTXTAQXES-UHFFFAOYSA-N", "dbo:formula": "Se", "skos:definition": { "@language": "nl", "@value": "seleen en seleenverbindingen, uitgedrukt als lood (Pb)" }, "dbo:pubchem": { "@value": "6326970", "@type": "xsd:int" }, "dbo:smiles": "[Se]", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Se'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'" }, { "@language": "nl", "@value": "VLAR III (D3) 'seleenverbindingen, uitgedrukt als Se'" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Se", "dbo:inchi": "InChI=1S/Se", "dbo:iupacName": { "@language": "en", "@value": "Selenium" }, "skos:prefLabel": { "@language": "nl", "@value": "seleen" } }, { "@id": "csc:CGYGETOMCSJHJU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7056", "@type": "xsd:int" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0004794" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "2ClNaf", "dbo:smiles": "C1=CC=C2C=C(C=CC2=C1)Cl", "dbp:inchikey": "CGYGETOMCSJHJU-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-CHLORONAPHTHALENE" }, "rdfs:seeAlso": { "@id": "compound:7056" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloornaftaleen" } }, { "@id": "csc:WYURNTSHIVDZCO-UHFFFAOYSA-N", "dbo:formula": "C4H8O", "dbo:casNumber": [ "109-99-9", "24979-97-3", "77392-70-2" ], "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "skos:notation": [ "T4Hfrn", "PTMEG" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1CCOC1", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "Oxolane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "polytetramethyletherglycol" }, "rdfs:seeAlso": { "@id": "compound:8028" }, "dbo:inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2", "dbo:pubchem": { "@value": "8028", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "tetrahydrofuraan" }, "dbp:inchikey": "WYURNTSHIVDZCO-UHFFFAOYSA-N" }, { "@id": "csc:QUSNBJAOOMFDIB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6341", "@type": "xsd:int" }, "dbp:inchikey": "QUSNBJAOOMFDIB-UHFFFAOYSA-N", "dbo:casNumber": [ "85404-16-6", "75-04-7", "85404-22-4", "43031-21-6" ], "skos:notation": "C2yAe", "dbo:smiles": "CCN", "dbo:formula": "C2H7N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "ethylamine" }, "rdfs:seeAlso": { "@id": "compound:6341" }, "dbo:iupacName": { "@language": "en", "@value": "Ethanamine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "dbo:inchi": "InChI=1S/C2H7N/c1-2-3/h2-3H2,1H3" }, { "@id": "csc:AMQJEAYHLZJPGS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "pentanol" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "6276", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Pentan-1-ol" }, "dbo:formula": "C5H12O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "dbo:inchi": "InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3", "dbp:inchikey": "AMQJEAYHLZJPGS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6276" }, "skos:notation": "C5ol", "dbo:casNumber": "71-41-0", "dbo:smiles": "CCCCCO" }, { "@id": "csc:ODUCDPQEXGNKDN-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3 'NO'" } ], "dbo:casNumber": [ "90452-29-2", "10102-43-9", "53851-19-7", "51005-21-1", "51005-20-0", "90880-94-7", "14332-28-6" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "HNO", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "N=O", "dbo:iupacName": { "@language": "en", "@value": "nitroxyl" }, "skos:prefLabel": { "@language": "nl", "@value": "stikstofmonoxide" }, "skos:notation": "NO", "dbp:inchikey": "ODUCDPQEXGNKDN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/HNO/c1-2/h1H", "dbo:pubchem": { "@value": "945", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "stikstofmonoxide (NO)" }, "rdfs:seeAlso": { "@id": "compound:945" }, "skos:broader": { "@id": "csc:CHEMONTID_0000554" } }, { "@id": "csc:LCHYEKKJCUJAKN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:12570" }, "dbp:inchikey": "LCHYEKKJCUJAKN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2-propylfenol" }, "dbo:formula": "C9H12O", "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbo:iupacName": { "@language": "en", "@value": "2-Propylphenol" }, "dbo:smiles": "CCCC1=CC=CC=C1O", "skos:notation": "2C3yFol", "dbo:pubchem": { "@value": "12570", "@type": "xsd:int" }, "dbo:casNumber": "644-35-9" }, { "@id": "csc:JUVIOZPCNVVQFO-HBGVWJBISA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "rotenon" }, "dbo:casNumber": [ "83-79-4", "12679-58-2" ], "dbo:iupacName": { "@language": "en", "@value": "(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" }, "skos:broader": { "@id": "csc:CHEMONTID_0003528" }, "dbo:smiles": "CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC", "dbo:formula": "C23H22O6", "skos:notation": "rotnn", "rdfs:seeAlso": { "@id": "compound:6758" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "JUVIOZPCNVVQFO-HBGVWJBISA-N", "dbo:pubchem": { "@value": "6758", "@type": "xsd:int" } }, { "@id": "csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N", "dbo:smiles": "CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2", "skos:exactMatch": { "@id": "wise:CAS_85-68-7" }, "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:casNumber": [ "85-68-7", "58128-78-2" ], "skos:notation": "benzC4yFt", "skos:prefLabel": { "@language": "nl", "@value": "benzylbutylftalaat" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:2347" }, "dbo:pubchem": { "@value": "2347", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "butylbenzylftalaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "O1-butyl O2-(phenylmethyl) benzene-1,2-dicarboxylate" }, "dbp:inchikey": "IRIAEXORFWYRCZ-UHFFFAOYSA-N" }, { "@id": "csc:DECIPOUIJURFOJ-UHFFFAOYSA-N", "dbo:smiles": "CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C", "skos:prefLabel": { "@language": "nl", "@value": "ethoxychine" }, "dbo:casNumber": [ "8047-14-1", "8047-04-9", "91-53-2", "63301-91-7" ], "dbo:pubchem": { "@value": "3293", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "DECIPOUIJURFOJ-UHFFFAOYSA-N", "skos:notation": "etxcne", "dbo:iupacName": { "@language": "en", "@value": "6-ethoxy-2,2,4-trimethyl-1H-quinoline" }, "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", "rdfs:seeAlso": { "@id": "compound:3293" }, "skos:broader": { "@id": "csc:CHEMONTID_0001716" }, "dbo:formula": "C14H19NO", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:KWWWFTBWCKTBQI-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:41122" }, "dbo:iupacName": { "@language": "en", "@value": "1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone" }, "dbo:casNumber": "54549-72-3", "dbo:formula": "C11H14O2", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "KWWWFTBWCKTBQI-UHFFFAOYSA-N", "dbo:smiles": "CC(=O)C1=CC=C(C=C1)C(C)(C)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "41122", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "4-(1-hydroxy-1-methylethyl)-acetofenon" }, "dbo:inchi": "InChI=1S/C11H14O2/c1-8(12)9-4-6-10(7-5-9)11(2,3)13/h4-7,13H,1-3H3", "skos:notation": "41HOx1C1yC2y", "skos:broader": { "@id": "csc:CHEMONTID_0004298" } }, { "@id": "csc:CAHQGWAXKLQREW-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "37808-21-2", "29797-40-8", "98-87-3" ], "skos:altLabel": [ { "@language": "nl", "@value": "alfa-alfa-dichloortolueen" }, { "@language": "nl", "@value": "alfa-alfa-dichloortolueen (benzalchloride)" } ], "dbp:inchikey": "CAHQGWAXKLQREW-UHFFFAOYSA-N", "skos:notation": "aaDClTol", "skos:exactMatch": { "@id": "wise:CAS_98-87-3" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "skos:prefLabel": { "@language": "nl", "@value": "alfa,alfa-dichloortolueen" }, "dbo:smiles": "C1=CC=C(C=C1)C(Cl)Cl", "dbo:formula": "C7H6Cl2", "dbo:iupacName": { "@language": "en", "@value": "Dichloromethylbenzene" }, "dbo:pubchem": { "@value": "7411", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7411" }, "dbo:inchi": "InChI=1S/C7H6Cl2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:DMSMPAJRVJJAGA-UHFFFAOYSA-N", "dbo:formula": "C7H5NOS", "dbo:smiles": "C1=CC=C2C(=C1)C(=O)NS2", "rdfs:seeAlso": { "@id": "compound:17520" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "17520", "@type": "xsd:int" }, "dbo:casNumber": [ "2634-33-5", "101964-01-6", "40991-37-5", "75037-67-1", "54392-14-2" ], "dbo:iupacName": { "@language": "en", "@value": "1,2-benzothiazol-3-one" }, "dbp:inchikey": "DMSMPAJRVJJAGA-UHFFFAOYSA-N", "skos:notation": "12benztaz3o", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000311" }, "dbo:inchi": "InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)", "skos:prefLabel": { "@language": "nl", "@value": "1,2-benzothiazool-3-on" } }, { "@id": "csc:KLMCZVJOEAUDNE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6328145", "@type": "xsd:int" }, "dbo:smiles": "[Fr]", "skos:notation": "Fr", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbp:inchikey": "KLMCZVJOEAUDNE-UHFFFAOYSA-N", "dbo:casNumber": "7440-73-5", "dbo:formula": "Fr", "skos:prefLabel": { "@language": "nl", "@value": "francium" }, "dbo:inchi": "InChI=1S/Fr", "rdfs:seeAlso": { "@id": "compound:6328145" }, "dbo:iupacName": { "@language": "en", "@value": "FRANCIUM" } }, { "@id": "csc:CWBIFDGMOSWLRQ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:25477" }, "dbp:inchikey": "CWBIFDGMOSWLRQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "12001-29-5", "61076-97-9" ], "dbo:formula": "H4Mg3O9Si2", "skos:prefLabel": { "@language": "nl", "@value": "chrysotiel (witte asbest)" }, "dbo:iupacName": { "@language": "en", "@value": "trimagnesium hydroxy-trioxidosilane hydrate" }, "dbo:inchi": "InChI=1S/3Mg.2HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;2*1H;1H2/q3*+2;2*-3;", "dbo:smiles": "O.O[Si]([O-])([O-])[O-].O[Si]([O-])([O-])[O-].[Mg+2].[Mg+2].[Mg+2]", "dbo:pubchem": { "@value": "25477", "@type": "xsd:int" }, "skos:notation": "chrystl", "skos:broader": { "@id": "csc:CHEMONTID_0000921" } }, { "@id": "csc:FYWJWWMKCARWQG-UHFFFAOYSA-N", "dbo:casNumber": [ "25550-53-2", "41195-90-8" ], "rdfs:seeAlso": { "@id": "compound:33050" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "FYWJWWMKCARWQG-UHFFFAOYSA-N", "skos:notation": "23DClFyiCN", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)N=C=O", "skos:prefLabel": { "@language": "nl", "@value": "2,3-dichloorfenylisocyanaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H", "dbo:formula": "C7H3Cl2NO", "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichloro-3-isocyanatobenzene" }, "dbo:pubchem": { "@value": "33050", "@type": "xsd:int" } }, { "@id": "csc:VVJKKWFAADXIJK-UHFFFAOYSA-N", "dbo:casNumber": [ "30551-89-4", "107-11-9", "71550-12-4" ], "dbo:smiles": "C=CCN", "dbo:formula": "C3H7N", "rdfs:seeAlso": { "@id": "compound:7853" }, "dbp:inchikey": "VVJKKWFAADXIJK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "prop-2-en-1-amine" }, "dbo:pubchem": { "@value": "7853", "@type": "xsd:int" }, "skos:notation": "3Ao1C3e", "dbo:inchi": "InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "3-amino-1-propeen" }, "skos:broader": { "@id": "csc:CHEMONTID_0000469" } }, { "@id": "csc:QGSRKGWCQSATCL-UHFFFAOYSA-N", "dbo:formula": "C3Cl2OS2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1(=C(SSC1=O)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:14503" }, "skos:prefLabel": { "@language": "nl", "@value": "4,5-dichloor-3H-1,2-dithiool-3-on" }, "skos:notation": "45DCl3H12Dto", "dbo:iupacName": { "@language": "en", "@value": "4,5-dichlorodithiol-3-one" }, "dbp:inchikey": "QGSRKGWCQSATCL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "14503", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C3Cl2OS2/c4-1-2(5)7-8-3(1)6", "dbo:casNumber": "1192-52-5", "skos:broader": { "@id": "csc:CHEMONTID_0001030" }, "skos:altLabel": { "@language": "nl", "@value": "4,5-dichloor-3h-1,2-dithiool-3-on" } }, { "@id": "csc:RBTARNINKXHZNM-UHFFFAOYSA-K", "skos:altLabel": { "@language": "nl", "@value": "ijzer(iii)chloride" }, "dbo:casNumber": [ "12040-57-2", "7705-08-0", "130622-20-7", "12178-83-5" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "24380", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['trichloroiron', 'iron(+3) cation trichloride']" }, "skos:notation": "FeCl3", "dbo:inchi": "InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3", "skos:broader": { "@id": "csc:CHEMONTID_0000588" }, "skos:prefLabel": { "@language": "nl", "@value": "ijzer(III)chloride" }, "dbp:inchikey": "RBTARNINKXHZNM-UHFFFAOYSA-K", "dbo:formula": "Cl3Fe", "dbo:smiles": "Cl[Fe](Cl)Cl", "rdfs:seeAlso": { "@id": "compound:24380" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N", "dbo:casNumber": [ "129378-89-8", "723-46-6" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide" }, "skos:exactMatch": { "@id": "wise:CAS_723-46-6" }, "dbo:pubchem": { "@value": "5329", "@type": "xsd:int" }, "dbp:inchikey": "JLKIGFTWXXRPMT-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfamethoxazol" }, "dbo:smiles": "CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbo:formula": "C10H11N3O3S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "sulfmtoazl", "rdfs:seeAlso": { "@id": "compound:5329" }, "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)" }, { "@id": "csc:YXOVIGZJPGLNGM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "5-methyltetralin" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "5-methyl-1,2,3,4-tetrahydronaphthalene" }, "skos:broader": { "@id": "csc:CHEMONTID_0000048" }, "dbo:pubchem": { "@value": "17768", "@type": "xsd:int" }, "dbo:casNumber": "2809-64-5", "dbo:smiles": "CC1=C2CCCCC2=CC=C1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C11H14", "skos:notation": "5C1yT4lne", "dbp:inchikey": "YXOVIGZJPGLNGM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:17768" }, "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" }, { "@id": "csc:YSAXEHWHSLANOM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16587", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000021" }, "dbo:iupacName": { "@language": "en", "@value": "2-METHYL-1H-INDENE" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "2C1idn", "dbp:inchikey": "YSAXEHWHSLANOM-UHFFFAOYSA-N", "dbo:formula": "C10H10", "rdfs:seeAlso": { "@id": "compound:16587" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylindeen" }, "dbo:casNumber": "2177-47-1", "dbo:smiles": "CC1=CC2=CC=CC=C2C1" }, { "@id": "csc:JCMNMOBHVPONLD-UHFFFAOYSA-N", "dbo:casNumber": "2043-47-2", "dbo:iupacName": { "@language": "en", "@value": "3,3,4,4,5,5,6,6,6-nonafluorohexan-1-ol" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:74883" }, "dbo:inchi": "InChI=1S/C6H5F9O/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h16H,1-2H2", "skos:broader": { "@id": "csc:CHEMONTID_0003967" }, "dbo:formula": "C6H5F9O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "42FTOH", "dbo:smiles": "C(CO)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "perfluorethylethanol 4:2" }, "dbp:inchikey": "JCMNMOBHVPONLD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "74883", "@type": "xsd:int" } }, { "@id": "csc:ASWVTGNCAZCNNR-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "5327", "@type": "xsd:int" }, "dbo:casNumber": "57-68-1", "dbo:formula": "C12H14N4O2S", "rdfs:seeAlso": { "@id": "compound:5327" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ASWVTGNCAZCNNR-UHFFFAOYSA-N", "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": { "@language": "en", "@value": "4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfadimidine" }, "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "skos:notation": "sulfdmdne", "skos:altLabel": { "@language": "nl", "@value": "sulfamethazine" } }, { "@id": "csc:CBENFWSGALASAD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "10028-15-6", "74087-86-8" ], "skos:prefLabel": { "@language": "nl", "@value": "ozon" }, "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dbo:pubchem": { "@value": "24823", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "OZONE" }, "skos:notation": "ozn", "dbo:inchi": "InChI=1S/O3/c1-3-2", "dbp:inchikey": "CBENFWSGALASAD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:24823" }, "dbo:formula": "O3", "dbo:smiles": "[O-][O+]=O" }, { "@id": "csc:AFYPFACVUDMOHA-UHFFFAOYSA-N", "dbo:casNumber": [ "185009-43-2", "75-72-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6392" }, "skos:notation": "CFK13", "skos:prefLabel": { "@language": "nl", "@value": "chloortrifluormethaan" }, "dbo:smiles": "C(F)(F)(F)Cl", "dbp:inchikey": "AFYPFACVUDMOHA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6392", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "chloro-trifluoromethane" }, "dbo:formula": "CClF3", "dbo:inchi": "InChI=1S/CClF3/c2-1(3,4)5", "skos:broader": { "@id": "csc:CHEMONTID_0004521" } }, { "@id": "csc:SXPWTBGAZSPLHA-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "31202", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003977" }, "dbo:smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]", "skos:notation": "benzDC1yC16y", "dbo:casNumber": [ "60484-28-8", "89004-36-4", "10328-34-4", "122-18-9" ], "dbo:iupacName": { "@language": "en", "@value": "benzyl-hexadecyl-dimethylazanium chloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "benzyldimethylhexadecylammoniumchloride" }, "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", "rdfs:seeAlso": { "@id": "compound:31202" }, "dbo:formula": "C25H46ClN", "dbp:inchikey": "SXPWTBGAZSPLHA-UHFFFAOYSA-M" }, { "@id": "csc:USSIQXCVUWKGNF-UHFFFAOYSA-N", "dbo:casNumber": [ "5653-80-5", "125-58-6", "76-99-3", "297-88-1" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "methadon" }, "dbo:smiles": "CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2", "rdfs:seeAlso": { "@id": "compound:4095" }, "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", "dbp:inchikey": "USSIQXCVUWKGNF-UHFFFAOYSA-N", "skos:notation": "metdn", "dbo:formula": "C21H27NO", "dbo:iupacName": { "@language": "en", "@value": "6-dimethylamino-4,4-di(phenyl)heptan-3-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:pubchem": { "@value": "4095", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:BHNHHSOHWZKFOX-UHFFFAOYSA-N", "dbo:formula": "C9H9N", "dbp:inchikey": "BHNHHSOHWZKFOX-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7224", "@type": "xsd:int" }, "dbo:smiles": "CC1=CC2=CC=CC=C2N1", "rdfs:seeAlso": { "@id": "compound:7224" }, "dbo:inchi": "InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "95-20-5", "skos:notation": "2C1yidl", "dbo:iupacName": { "@language": "en", "@value": "2-Methyl-1H-indole" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylindol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002497" } }, { "@id": "csc:SUDHEDJJFGYYPL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C5H11NO2/c1-4-8-5(7)6(2)3/h4H2,1-3H3", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "687-48-9", "dbo:formula": "C5H11NO2", "dbp:inchikey": "SUDHEDJJFGYYPL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ethyl dimethylcarbamaat" }, "dbo:iupacName": { "@language": "en", "@value": "Ethyl N,N-dimethylcarbamate" }, "dbo:pubchem": { "@value": "12709", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "C2yDC1ycbmt", "skos:broader": { "@id": "csc:CHEMONTID_0001162" }, "dbo:smiles": "CCOC(=O)N(C)C", "rdfs:seeAlso": { "@id": "compound:12709" } }, { "@id": "csc:ZRIKZVLHMGYCIR-NSHDSACASA-N", "dbo:smiles": "CC1=C(C(=CC=C1)C)N(C(C)C(=O)O)C(=O)COC", "dbo:pubchem": { "@value": "159151", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:159151" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "mlxlMC62826", "skos:prefLabel": { "@language": "nl", "@value": "metalaxyl metaboliet cga 62826" }, "dbo:iupacName": { "@language": "en", "@value": "(2S)-2-[(2,6-dimethylphenyl)-(2-methoxyacetyl)amino]propanoic acid" }, "dbo:casNumber": "87764-37-2", "dbp:inchikey": "ZRIKZVLHMGYCIR-NSHDSACASA-N", "skos:altLabel": { "@language": "nl", "@value": "metalaxyl metaboliet CGA 62826" }, "skos:broader": { "@id": "csc:CHEMONTID_0004148" } }, { "@id": "csc:PNDPGZBMCMUPRI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "8012-85-9", "8031-47-8", "7553-56-2", "8012-81-5", "24503-90-0" ], "dbo:iupacName": { "@language": "en", "@value": "Molecular iodine" }, "dbp:inchikey": "PNDPGZBMCMUPRI-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "dijodium" }, "dbo:inchi": "InChI=1S/I2/c1-2", "skos:broader": { "@id": "csc:CHEMONTID_0000432" }, "dbo:formula": "I2", "dbo:smiles": "II", "rdfs:seeAlso": { "@id": "compound:807" }, "dbo:pubchem": { "@value": "807", "@type": "xsd:int" }, "skos:notation": "I2" }, { "@id": "csc:MHZGKXUYDGKKIU-UHFFFAOYSA-N", "dbo:formula": "C10H23N", "dbp:inchikey": "MHZGKXUYDGKKIU-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H23N/c1-2-3-4-5-6-7-8-9-10-11/h2-11H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "1-aminodecaan" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "decan-1-amine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "rdfs:seeAlso": { "@id": "compound:8916" }, "skos:notation": "1AoC10a", "dbo:pubchem": { "@value": "8916", "@type": "xsd:int" }, "dbo:casNumber": "2016-57-1", "dbo:smiles": "CCCCCCCCCCN", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N", "dbo:formula": "C6H4Cl2", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbp:inchikey": "RFFLAFLAYFXFSW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7239" }, "dbo:pubchem": { "@value": "7239", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_95-50-1" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "12DClBen", "skos:altLabel": { "@language": "nl", "@value": "1,2-dichloorbenzeen " }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorbenzeen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H", "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichlorobenzene" }, "dbo:casNumber": [ "24634-92-2", "25321-22-6", "95-50-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:smiles": "C1=CC=C(C(=C1)Cl)Cl" }, { "@id": "csc:QNXSIUBBGPHDDE-UHFFFAOYSA-N", "skos:notation": "1indnn", "skos:broader": { "@id": "csc:CHEMONTID_0001151" }, "dbo:iupacName": { "@language": "en", "@value": "2,3-dihydroinden-1-one" }, "dbo:formula": "C9H8O", "dbo:casNumber": [ "83-33-0", "30286-23-8" ], "dbo:inchi": "InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "1-indanon" }, "dbp:inchikey": "QNXSIUBBGPHDDE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6735", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6735" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1CC(=O)C2=CC=CC=C21" }, { "@id": "csc:MHKLKWCYGIBEQF-UHFFFAOYSA-N", "dbo:casNumber": [ "35309-99-0", "102-77-2", "108251-60-1", "31440-29-6", "40860-79-5" ], "skos:prefLabel": { "@language": "nl", "@value": "2-morfoline(thio)benzothiazool" }, "dbo:iupacName": { "@language": "en", "@value": "2-morpholin-4-ylsulfanyl-1,3-benzothiazole" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:pubchem": { "@value": "7619", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7619" }, "dbo:smiles": "C1COCCN1SC2=NC3=CC=CC=C3S2", "skos:notation": "2mflntobztaz", "dbp:inchikey": "MHKLKWCYGIBEQF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000311" } }, { "@id": "csc:BKIXWRBZCQEZAQ-UHFFFAOYSA-N", "dbp:inchikey": "BKIXWRBZCQEZAQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,7,9-hexachloordibenzofuraan" }, "dbo:casNumber": "91538-84-0", "dbo:pubchem": { "@value": "56262", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "rdfs:seeAlso": { "@id": "compound:56262" }, "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:smiles": "C1=C(C=C(C2=C1OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl", "dbo:formula": "C12H2Cl6O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,7,9-HEXACHLORODIBENZOFURAN" }, "skos:notation": "PCDF119" }, { "@id": "csc:HNZUNIKWNYHEJJ-FMIVXFBMSA-N", "dbo:smiles": "CC(=CCCC(=CCCC(=O)C)C)C", "skos:prefLabel": { "@language": "nl", "@value": "trans-geranylaceton" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "tganactn", "dbp:inchikey": "HNZUNIKWNYHEJJ-FMIVXFBMSA-N", "dbo:pubchem": { "@value": "1549778", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['(5E)-6,10-dimethylundeca-5,9-dien-2-one', '6,10-Dimethylundeca-5,9-dien-2-one']" }, "dbo:casNumber": [ "68228-05-7", "3796-70-1", "689-67-8" ], "rdfs:seeAlso": { "@id": "compound:1549778" }, "dbo:formula": "C13H22O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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+", "skos:broader": { "@id": "csc:CHEMONTID_0001127" } }, { "@id": "csc:XRHGWAGWAHHFLF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "isazofos" }, "dbo:smiles": "CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)C", "skos:notation": "iszfs", "dbo:casNumber": [ "57425-06-6", "42509-80-8", "65357-77-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "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": { "@language": "en", "@value": "(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane" }, "dbo:pubchem": { "@value": "39223", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:39223" }, "skos:broader": { "@id": "csc:CHEMONTID_0004623" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XRHGWAGWAHHFLF-UHFFFAOYSA-N", "dbo:formula": "C9H17ClN3O3PS" }, { "@id": "csc:MSXVEPNJUHWQHW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6405", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3", "dbo:smiles": "CCC(C)(C)O", "rdfs:seeAlso": { "@id": "compound:6405" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-2-butanol" }, "dbo:casNumber": "75-85-4", "dbp:inchikey": "MSXVEPNJUHWQHW-UHFFFAOYSA-N", "dbo:formula": "C5H12O", "skos:broader": { "@id": "csc:CHEMONTID_0001670" }, "skos:notation": "2C1y2C4ol", "dbo:iupacName": { "@language": "en", "@value": "2-Methylbutan-2-ol" } }, { "@id": "csc:GIBQERSGRNPMEH-UHFFFAOYSA-N", "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:formula": "C15H24", "dbo:smiles": "CC1CCC(=C(C)C)CC2=C1CCC2C", "skos:notation": "guaiene", "dbo:pubchem": { "@value": "6949", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "34766-41-1", "88-84-6" ], "dbp:inchikey": "GIBQERSGRNPMEH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001550" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene" }, "rdfs:seeAlso": { "@id": "compound:6949" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "guaiene" } }, { "@id": "csc:HYVWIQDYBVKITD-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:12898" }, "dbo:iupacName": { "@language": "en", "@value": "N-(dichloro-fluoromethyl)sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline" }, "dbo:smiles": "CC1=CC=C(C=C1)N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C", "dbo:pubchem": { "@value": "12898", "@type": "xsd:int" }, "dbp:inchikey": "HYVWIQDYBVKITD-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000038" }, "dbo:casNumber": "731-27-1", "skos:notation": "tolfande", "dbo:formula": "C10H13Cl2FN2O2S2", "skos:prefLabel": { "@language": "nl", "@value": "tolylfluanide" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HOQADATXFBOEGG-UHFFFAOYSA-N", "dbo:smiles": "CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C", "dbo:pubchem": { "@value": "32872", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate" }, "skos:notation": "iffs", "dbo:casNumber": [ "52907-24-1", "103982-06-5", "61711-63-5", "103982-07-6", "25311-71-1" ], "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)", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C15H24NO4PS", "rdfs:seeAlso": { "@id": "compound:32872" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbp:inchikey": "HOQADATXFBOEGG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "isofenfos" } }, { "@id": "csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N", "dbo:casNumber": "7440-31-5", "dbo:formula": "Sn", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Sn'" }, { "@language": "nl", "@value": "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'" }, { "@language": "nl", "@value": "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'" } ], "skos:altLabel": { "@language": "nl", "@value": "Tin (Sn)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ATJFFYVFTNAWJD-UHFFFAOYSA-N", "dbo:smiles": "[Sn]", "dbo:inchi": "InChI=1S/Sn", "skos:prefLabel": { "@language": "nl", "@value": "tin" }, "dbo:pubchem": { "@value": "5352426", "@type": "xsd:int" }, "skos:definition": { "@language": "nl", "@value": "tin en tinverbindingen, uitgedrukt als tin (Sn)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:iupacName": { "@language": "en", "@value": "TIN" }, "skos:notation": "Sn", "rdfs:seeAlso": { "@id": "compound:5352426" }, "skos:exactMatch": { "@id": "wise:CAS_7440-31-5" } }, { "@id": "csc:SXRSQZLOMIGNAQ-UHFFFAOYSA-N", "dbo:smiles": "C(CC=O)CC=O", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "glutAh", "dbo:casNumber": [ "29257-65-6", "79215-57-9", "111-30-8", "107950-89-0", "37245-61-7" ], "skos:prefLabel": { "@language": "nl", "@value": "glutaaraldehyde" }, "rdfs:seeAlso": { "@id": "compound:3485" }, "dbo:inchi": "InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2", "dbo:pubchem": { "@value": "3485", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C5H8O2", "dbp:inchikey": "SXRSQZLOMIGNAQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Pentanedial" }, "skos:broader": { "@id": "csc:CHEMONTID_0002434" } }, { "@id": "csc:OFCFYWOKHPOXKF-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)Cl", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-phenylsulfonylbenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0004233" }, "dbp:inchikey": "OFCFYWOKHPOXKF-UHFFFAOYSA-N", "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:formula": "C12H9ClO2S", "skos:notation": "4ClFyFysfn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6621", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "8012-45-1", "80-00-2" ], "skos:prefLabel": { "@language": "nl", "@value": "4-chloorfenyl fenylsulfon" }, "rdfs:seeAlso": { "@id": "compound:6621" } }, { "@id": "csc:HCHKCACWOHOZIP-IGMARMGPSA-N", "dbo:iupacName": { "@language": "en", "@value": "zinc-65" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "Zn", "dbo:inchi": "InChI=1S/Zn/i1+0", "skos:prefLabel": { "@language": "nl", "@value": "zink 65" }, "dbo:casNumber": "13982-39-3", "dbo:smiles": "[Zn]", "dbo:pubchem": { "@value": "91574", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Zn65", "dbp:inchikey": "HCHKCACWOHOZIP-IGMARMGPSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "rdfs:seeAlso": { "@id": "compound:91574" } }, { "@id": "csc:XAUGWFWQVYXATQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C12H11NO2S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000038" }, "rdfs:seeAlso": { "@id": "compound:74296" }, "skos:prefLabel": { "@language": "nl", "@value": "benzeensulfonanilide" }, "dbp:inchikey": "XAUGWFWQVYXATQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "74296", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N-Phenylbenzenesulfonamide" }, "dbo:smiles": "C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2", "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:casNumber": "1678-25-7", "skos:notation": "Bensfanlde" }, { "@id": "csc:CKPWHXBGVRURFU-UHFFFAOYSA-N", "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:smiles": "C1C2C(CO1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:97768" }, "dbo:formula": "C9H6Cl6O", "skos:notation": "endsfetr", "dbo:casNumber": "3369-52-6", "dbo:iupacName": { "@language": "en", "@value": "1,7,8,9,10,10-hexachloro-4-oxatricyclo[5.2.1.02,6]dec-8-ene" }, "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "dbo:pubchem": { "@value": "97768", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "endosulfanether" }, "dbp:inchikey": "CKPWHXBGVRURFU-UHFFFAOYSA-N" }, { "@id": "csc:XGQJZNCFDLXSIJ-UHFFFAOYSA-N", "skos:notation": "C15al", "dbo:pubchem": { "@value": "17697", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCCCCCCC=O", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:17697" }, "dbo:casNumber": "2765-11-9", "skos:broader": { "@id": "csc:CHEMONTID_0000298" }, "dbo:iupacName": { "@language": "en", "@value": "Pentadecanal" }, "dbp:inchikey": "XGQJZNCFDLXSIJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "pentadecanal" }, "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" }, { "@id": "csc:OXQHJIGWZNIQDS-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "137941", "@type": "xsd:int" }, "skos:notation": "22DC1oxC4a", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "3453-99-4", "skos:broader": { "@id": "csc:CHEMONTID_0004472" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2-dimethoxybutaan" }, "rdfs:seeAlso": { "@id": "compound:137941" }, "dbo:inchi": "InChI=1S/C6H14O2/c1-5-6(2,7-3)8-4/h5H2,1-4H3", "dbp:inchikey": "OXQHJIGWZNIQDS-UHFFFAOYSA-N", "dbo:formula": "C6H14O2", "dbo:smiles": "CCC(C)(OC)OC", "dbo:iupacName": { "@language": "en", "@value": "2,2-Dimethoxybutane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HGUFODBRKLSHSI-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "HGUFODBRKLSHSI-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,3,7,8-tetrachlorooxanthrene" }, "skos:notation": "PCDD48", "rdfs:seeAlso": { "@id": "compound:15625" }, "skos:exactMatch": { "@id": "wise:CAS_1746-01-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "1746-01-6", "56795-67-6" ], "dbo:formula": "C12H4Cl4O2", "dbo:pubchem": { "@value": "15625", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzo-p-dioxine" }, "skos:altLabel": [ { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine (tcdd)" }, { "@language": "nl", "@value": " 2,3,7,8-tetrachloordibenzodioxine" }, { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzodioxine" } ], "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", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl" }, { "@id": "csc:QFMJFXFXQAFGBO-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004671" }, "dbo:smiles": "COC1=CC(=C(C=C1)N)[N+](=O)[O-]", "dbo:casNumber": "96-96-8", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-methoxy-2-nitroaniline" }, "dbo:inchi": "InChI=1S/C7H8N2O3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:66793" }, "dbo:pubchem": { "@value": "66793", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methoxy-2-nitroaniline" }, "skos:notation": "4C1ox2NO2An", "dbo:formula": "C7H8N2O3", "dbp:inchikey": "QFMJFXFXQAFGBO-UHFFFAOYSA-N" }, { "@id": "csc:UVCOILFBWYKHHB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4540", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "norfludiazepam" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "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)", "dbp:inchikey": "UVCOILFBWYKHHB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004097" }, "dbo:smiles": "C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F", "dbo:casNumber": "2886-65-9", "rdfs:seeAlso": { "@id": "compound:4540" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "norfDazpm", "dbo:formula": "C15H10ClFN2O", "dbo:iupacName": { "@language": "en", "@value": "7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one" } }, { "@id": "csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N", "dbo:casNumber": [ "1763-23-1", "132324-11-9" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "perfluoroctaansulfonzuur (pfos)" }, "dbp:inchikey": "YFSUTJLHUFNCNZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8HF17O3S", "skos:notation": "PFOS", "skos:broader": { "@id": "csc:CHEMONTID_0003960" }, "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", "skos:altLabel": [ { "@language": "nl", "@value": "perfluoroctaansulfonzuur (lineair)" }, { "@language": "nl", "@value": "perfluoroctaansul-fonzuur en zijn derivaten (pfos)" }, { "@language": "nl", "@value": "perfluor-n-octaansulfonzuur" } ], "skos:exactMatch": { "@id": "wise:CAS_1763-23-1" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid" }, "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:pubchem": { "@value": "74483", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:74483" } }, { "@id": "csc:LGBAGUMSAPUZPU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:175686" }, "skos:notation": "DiC11yFt", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "96507-86-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "bis(9-methyldecyl) benzene-1,2-dicarboxylate" }, "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", "dbp:inchikey": "LGBAGUMSAPUZPU-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C", "skos:altLabel": { "@language": "nl", "@value": "di-isoundecylftalaat (mix van isomeren)" }, "dbo:pubchem": { "@value": "175686", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "skos:prefLabel": { "@language": "nl", "@value": "diisoundecylftalaat" }, "dbo:formula": "C30H50O4" }, { "@id": "csc:PXWUKZGIHQRDHL-UHFFFAOYSA-N", "dbo:smiles": "CCNC1=NC(=NC(=N1)OC)NC(C)C", "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)", "skos:notation": "attn", "dbo:casNumber": "1610-17-9", "dbp:inchikey": "PXWUKZGIHQRDHL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "15359", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "atraton" }, "rdfs:seeAlso": { "@id": "compound:15359" }, "dbo:formula": "C9H17N5O", "dbo:iupacName": { "@language": "en", "@value": "N'-ethyl-6-methoxy-N-propan-2-yl-1,3,5-triazine-2,4-diamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004734" } }, { "@id": "csc:VHOVSQVSAAQANU-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "62781", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C7H16N.ClH/c1-8(2)6-4-3-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1", "skos:notation": [ "mepqCl", "mepqat" ], "dbo:casNumber": [ "15302-91-7", "24307-26-4" ], "dbp:inchikey": "VHOVSQVSAAQANU-UHFFFAOYSA-M", "dbo:formula": "C7H16ClN", "dbo:iupacName": { "@language": "en", "@value": "1,1-dimethylpiperidin-1-ium chloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:62781" }, "skos:altLabel": { "@language": "nl", "@value": "mepiquat" }, "dbo:smiles": "C[N+]1(CCCCC1)C.[Cl-]", "skos:prefLabel": { "@language": "nl", "@value": "mepiquatchloride" }, "skos:broader": { "@id": "csc:CHEMONTID_0000195" } }, { "@id": "csc:YIKSCQDJHCMVMK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10113", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C2H4N2O2/c3-1(5)2(4)6/h(H2,3,5)(H2,4,6)", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H4N2O2", "rdfs:seeAlso": { "@id": "compound:10113" }, "dbo:casNumber": [ "471-46-5", "4745-68-0" ], "skos:notation": "OaAd", "dbp:inchikey": "YIKSCQDJHCMVMK-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000060" }, "skos:prefLabel": { "@language": "nl", "@value": "oxamide" }, "dbo:iupacName": { "@language": "en", "@value": "OXAMIDE" }, "dbo:smiles": "C(=O)(C(=O)N)N" }, { "@id": "csc:ZFIVKAOQEXOYFY-UHFFFAOYSA-N", "dbp:inchikey": "ZFIVKAOQEXOYFY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C4H6O2/c1-3(5-1)4-2-6-4/h3-4H,1-2H2", "dbo:casNumber": [ "1464-53-5", "298-18-0" ], "dbo:pubchem": { "@value": "11254", "@type": "xsd:int" }, "dbo:formula": "C4H6O2", "dbo:smiles": "C1C(O1)C2CO2", "skos:notation": "DepOxC4a", "rdfs:seeAlso": { "@id": "compound:11254" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000159" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "diepoxybutaan" }, "dbo:iupacName": { "@language": "en", "@value": "2-(oxiran-2-yl)oxirane" } }, { "@id": "csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N", "dbp:inchikey": "JSFITYFUKSFPBZ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004646" }, "dbo:smiles": "CC(C)CCCCCCC1=CC=C(C=C1)O", "dbo:pubchem": { "@value": "338733", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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:casNumber": [ "24518-48-7", "84852-15-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_84852-15-3" }, "skos:prefLabel": { "@language": "nl", "@value": "som 4-nonylfenol-isomeren (vertakt)" }, "dbo:iupacName": { "@language": "en", "@value": "4-(7-methyloctyl)phenol" }, "skos:notation": "s4C9yFol", "rdfs:seeAlso": { "@id": "compound:338733" } }, { "@id": "csc:QYEGXUUXWMKHHS-UHFFFAOYSA-N", "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:casNumber": [ "32241-08-0", "58863-15-3", "26444-37-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0004794" }, "skos:prefLabel": { "@language": "nl", "@value": "heptachloornaftaleen" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "36093", "@type": "xsd:int" }, "dbo:formula": "C10HCl7", "dbp:inchikey": "QYEGXUUXWMKHHS-UHFFFAOYSA-N", "skos:notation": "HpClNaf", "dbo:smiles": "C1=C(C2=C(C(=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:36093" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5,6,8-Heptachloronaphthalene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OCJYIGYOJCODJL-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:4034" }, "dbo:casNumber": "569-65-3", "dbo:pubchem": { "@value": "4034", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:notation": "meczne", "dbo:smiles": "CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl", "dbo:iupacName": { "@language": "en", "@value": "1-[(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "OCJYIGYOJCODJL-UHFFFAOYSA-N", "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", "skos:prefLabel": { "@language": "nl", "@value": "meclozine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WRYLYDPHFGVWKC-UHFFFAOYSA-N", "skos:notation": "4terpnol", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "4-methyl-1-propan-2-ylcyclohex-3-en-1-ol" }, "dbo:formula": "C10H18O", "dbo:pubchem": { "@value": "11230", "@type": "xsd:int" }, "dbo:casNumber": [ "562-74-3", "1336-05-6", "28219-82-1" ], "dbo:smiles": "CC1=CCC(CC1)(C(C)C)O", "dbo:inchi": "InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3", "skos:broader": { "@id": "csc:CHEMONTID_0001401" }, "skos:prefLabel": { "@language": "nl", "@value": "4-terpineol" }, "dbp:inchikey": "WRYLYDPHFGVWKC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11230" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:SQNZJJAZBFDUTD-UHFFFAOYSA-N", "dbo:casNumber": "95-93-2", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C10H14", "dbo:inchi": "InChI=1S/C10H14/c1-7-5-9(3)10(4)6-8(7)2/h5-6H,1-4H3", "skos:notation": "1245T4C1yBen", "dbp:inchikey": "SQNZJJAZBFDUTD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC(=C(C=C1C)C)C", "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-Tetramethylbenzene" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2,4,5-tetramethylbenzeen" }, "rdfs:seeAlso": { "@id": "compound:7269" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:pubchem": { "@value": "7269", "@type": "xsd:int" } }, { "@id": "csc:KXDAEFPNCMNJSK-UHFFFAOYSA-N", "skos:notation": "benzAd", "dbo:iupacName": { "@language": "en", "@value": "Benzamide" }, "dbo:casNumber": [ "55-21-0", "27208-38-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KXDAEFPNCMNJSK-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000178" }, "dbo:pubchem": { "@value": "2331", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:2331" }, "dbo:smiles": "C1=CC=C(C=C1)C(=O)N", "dbo:formula": "C7H7NO", "skos:prefLabel": { "@language": "nl", "@value": "benzamide" }, "dbo:inchi": "InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)" }, { "@id": "csc:KSMVNVHUTQZITP-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzofuraan" }, "dbp:inchikey": "KSMVNVHUTQZITP-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "dbo:casNumber": "51207-31-9", "skos:altLabel": [ { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzofuraan (tecdf)" }, { "@language": "nl", "@value": " 2,3,7,8-tetrachloordibenzofuraan" }, { "@language": "nl", "@value": "2,3,7,8-tetrachloordibenzofuran" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "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", "skos:exactMatch": { "@id": "wise:CAS_51207-31-9" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=C2C3=CC(=C(C=C3OC2=CC(=C1Cl)Cl)Cl)Cl", "dbo:pubchem": { "@value": "39929", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:39929" }, "dbo:iupacName": { "@language": "en", "@value": "2,3,7,8-TETRACHLORODIBENZOFURAN" }, "dbo:formula": "C12H4Cl4O", "skos:notation": "PCDF83" }, { "@id": "csc:RJKCKKDSSSRYCB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC(C)N(CC1=CC=CC=C1)C(=O)C(C)(C)C", "dbp:inchikey": "RJKCKKDSSSRYCB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "92299", "@type": "xsd:int" }, "dbo:formula": "C15H23NO", "rdfs:seeAlso": { "@id": "compound:92299" }, "dbo:iupacName": { "@language": "en", "@value": "2,2-dimethyl-N-(phenylmethyl)-N-propan-2-ylpropanamide" }, "dbo:casNumber": "35256-85-0", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "tebtm", "skos:prefLabel": { "@language": "nl", "@value": "tebutam" } }, { "@id": "csc:CVRALZAYCYJELZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:30709" }, "dbo:casNumber": [ "21609-90-5", "73270-49-2", "73307-67-2", "73307-66-1" ], "dbo:pubchem": { "@value": "30709", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004767" }, "dbo:smiles": "COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl", "skos:prefLabel": { "@language": "nl", "@value": "leptofos" }, "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", "dbp:inchikey": "CVRALZAYCYJELZ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidenephosphorane" }, "skos:notation": "leptfs", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ZXQYGBMAQZUVMI-QQDHXZELSA-N", "dbo:formula": "C23H19ClF3NO3", "dbo:casNumber": "91465-08-6", "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "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", "dbo:pubchem": { "@value": "6435500", "@type": "xsd:int" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "lambda-cyhalothrin" }, "dbo:iupacName": { "@language": "en", "@value": "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "ZXQYGBMAQZUVMI-QQDHXZELSA-N", "skos:notation": "lcyhltn", "rdfs:seeAlso": { "@id": "compound:6435500" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GXNNLIMMEXHBKV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "38012", "@type": "xsd:int" }, "skos:notation": "PCB95", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:casNumber": "38379-99-6", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:38012" }, "dbp:inchikey": "GXNNLIMMEXHBKV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-3-(2,5-dichlorophenyl)benzene" }, "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:formula": "C12H5Cl5", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,5',6-pentachloorbifenyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2Cl)Cl)Cl)Cl" }, { "@id": "csc:HPXRVTGHNJAIIH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Cyclohexanol" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "cycC6ol", "rdfs:seeAlso": { "@id": "compound:7966" }, "skos:prefLabel": { "@language": "nl", "@value": "cyclohexanol" }, "dbo:formula": "C6H12O", "skos:broader": { "@id": "csc:CHEMONTID_0002647" }, "dbo:smiles": "C1CCC(CC1)O", "dbo:casNumber": "108-93-0", "dbo:pubchem": { "@value": "7966", "@type": "xsd:int" }, "dbp:inchikey": "HPXRVTGHNJAIIH-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ZVQXQPNJHRNGID-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3-Tetramethylbutanedinitrile" }, "skos:notation": "T4C1yC4aDntl", "skos:broader": { "@id": "csc:CHEMONTID_0000362" }, "dbo:smiles": "CC(C)(C#N)C(C)(C)C#N", "dbo:casNumber": "3333-52-6", "rdfs:seeAlso": { "@id": "compound:18745" }, "dbp:inchikey": "ZVQXQPNJHRNGID-UHFFFAOYSA-N", "dbo:formula": "C8H12N2", "dbo:inchi": "InChI=1S/C8H12N2/c1-7(2,5-9)8(3,4)6-10/h1-4H3", "skos:prefLabel": { "@language": "nl", "@value": "tetramethylbutaandinitril" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "18745", "@type": "xsd:int" } }, { "@id": "csc:DXBHBZVCASKNBY-UHFFFAOYSA-N", "dbp:inchikey": "DXBHBZVCASKNBY-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "benzo(a)antraceen" }, { "@language": "nl", "@value": "benzo(a)antra-ceen" }, { "@language": "nl", "@value": "benz(a)anthraceen" } ], "skos:prefLabel": { "@language": "nl", "@value": "benzo(a)anthraceen" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II (D2) 'benzo(a)antraceen'" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5954" }, "skos:notation": "BaA", "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dbo:iupacName": { "@language": "en", "@value": "Benzo[a]anthracene" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC4=CC=CC=C4C=C32", "dbo:formula": "C18H12", "dbo:pubchem": { "@value": "5954", "@type": "xsd:int" }, "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:casNumber": "56-55-3", "skos:exactMatch": { "@id": "wise:CAS_56-55-3" } }, { "@id": "csc:QYMMJNLHFKGANY-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C11H15BrClO3PS", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "81123-19-5", "41198-08-7", "81116-98-5", "61230-42-0", "61287-51-2" ], "rdfs:seeAlso": { "@id": "compound:38779" }, "skos:notation": "profnfs", "dbo:smiles": "CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl", "dbo:pubchem": { "@value": "38779", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-bromo-2-chloro-1-(ethoxy-propylsulfanylphosphoryl)oxybenzene" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0004742" }, "skos:prefLabel": { "@language": "nl", "@value": "profenofos" }, "dbp:inchikey": "QYMMJNLHFKGANY-UHFFFAOYSA-N" }, { "@id": "csc:NATWUQFQFMZVMT-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "14110", "@type": "xsd:int" }, "dbp:inchikey": "NATWUQFQFMZVMT-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ethyl-2-methylbenzeensulfonamide" }, "dbo:smiles": "CCNS(=O)(=O)C1=CC=CC=C1C", "rdfs:seeAlso": { "@id": "compound:14110" }, "dbo:casNumber": "1077-56-1", "dbo:formula": "C9H13NO2S", "skos:broader": { "@id": "csc:CHEMONTID_0000031" }, "skos:notation": "C2y2C1yBensf", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "N-Ethyl-2-methylbenzenesulfonamide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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" }, { "@id": "csc:JOATXPAWOHTVSZ-UHFFFAOYSA-N", "dbo:smiles": "CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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)", "dbp:inchikey": "JOATXPAWOHTVSZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "celpll", "skos:broader": { "@id": "csc:CHEMONTID_0004298" }, "rdfs:seeAlso": { "@id": "compound:2663" }, "skos:prefLabel": { "@language": "nl", "@value": "celiprolol" }, "dbo:formula": "C20H33N3O4", "dbo:casNumber": "56980-93-9", "dbo:pubchem": { "@value": "2663", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea" } }, { "@id": "csc:PVLKQJLDEXCKNY-JYLPYTDFSA-L", "dbp:inchikey": "PVLKQJLDEXCKNY-JYLPYTDFSA-L", "dbo:pubchem": { "@value": "6321393", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "C.I. Acid Red 114" }, "skos:altLabel": { "@language": "nl", "@value": "c.i. acid red 114" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6321393" }, "dbo:iupacName": { "@language": "en", "@value": "disodium (8E)-8-[[2-methyl-4-[3-methyl-4-[4-(4-methylphenyl)sulfonyloxyphenyl]diazenylphenyl]phenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate" }, "dbo:casNumber": [ "25317-45-7", "6459-94-5" ], "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:formula": "C37H28N4Na2O10S3", "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+]", "skos:broader": { "@id": "csc:CHEMONTID_0003370" }, "skos:notation": "ciard114" }, { "@id": "csc:UIWYJDYFSGRHKR-AHCXROLUSA-N", "skos:prefLabel": { "@language": "nl", "@value": "gadolinium 153" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:smiles": "[Gd]", "rdfs:seeAlso": { "@id": "compound:161049" }, "dbo:casNumber": "14276-65-4", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/Gd/i1-4", "dbo:pubchem": { "@value": "161049", "@type": "xsd:int" }, "dbo:formula": "Gd", "dbo:iupacName": { "@language": "en", "@value": "gadolinium-153" }, "dbp:inchikey": "UIWYJDYFSGRHKR-AHCXROLUSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Gd153" }, { "@id": "csc:GRWFGVWFFZKLTI-UHFFFAOYSA-N", "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" ], "skos:prefLabel": { "@language": "nl", "@value": "alfa-pineen" }, "dbo:pubchem": { "@value": "6654", "@type": "xsd:int" }, "skos:notation": "apnn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6654" }, "dbo:smiles": "CC1=CCC2CC1C2(C)C", "dbp:inchikey": "GRWFGVWFFZKLTI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "4,7,7-trimethylbicyclo[3.1.1]hept-3-ene" }, "dbo:inchi": "InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3", "skos:broader": { "@id": "csc:CHEMONTID_0001564" }, "dbo:formula": "C10H16" }, { "@id": "csc:VMUNAKQXJLHODT-VAWYXSNFSA-N", "dbo:smiles": "CCCCCCCCCCC=CC=O", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:5283363" }, "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:casNumber": [ "7774-82-5", "7069-41-2" ], "skos:notation": "3C10yacline", "dbo:pubchem": { "@value": "5283363", "@type": "xsd:int" }, "dbo:formula": "C13H24O", "skos:prefLabel": { "@language": "nl", "@value": "3-decylacroleine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000298" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VMUNAKQXJLHODT-VAWYXSNFSA-N", "dbo:iupacName": { "@language": "en", "@value": "['tridec-2-enal', '(E)-tridec-2-enal']" } }, { "@id": "csc:JFIMDKGRGPNPRQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:casNumber": [ "55684-91-8", "40186-72-9", "53742-07-7" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,4',5,5',6-nonachloorbifenyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:38411" }, "dbp:inchikey": "JFIMDKGRGPNPRQ-UHFFFAOYSA-N", "dbo:formula": "C12HCl9", "skos:notation": "PCB206", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene" }, "dbo:pubchem": { "@value": "38411", "@type": "xsd:int" }, "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" }, { "@id": "csc:REDXJYDRNCIFBQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/Al/q+3", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:smiles": "[Al+3]", "dbo:formula": "Al+3", "dbo:casNumber": "22537-23-1", "rdfs:seeAlso": { "@id": "compound:104727" }, "dbo:iupacName": { "@language": "en", "@value": "aluminum(+3) cation" }, "skos:notation": "AlIII", "skos:prefLabel": { "@language": "nl", "@value": "aluminium (driewaardig)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "104727", "@type": "xsd:int" }, "dbp:inchikey": "REDXJYDRNCIFBQ-UHFFFAOYSA-N" }, { "@id": "csc:UMGXUWVIJIQANV-UHFFFAOYSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Br-]", "skos:prefLabel": { "@language": "nl", "@value": "didecyldimethylammoniumbromide" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "didecyldimethylammonium" }, "dbp:inchikey": "UMGXUWVIJIQANV-UHFFFAOYSA-M", "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", "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "rdfs:seeAlso": { "@id": "compound:16957" }, "dbo:iupacName": { "@language": "en", "@value": "didecyl-dimethylazanium bromide" }, "dbo:pubchem": { "@value": "16957", "@type": "xsd:int" }, "dbo:casNumber": [ "2390-68-3", "20256-56-8" ], "skos:notation": "DDMAB", "dbo:formula": "C22H48BrN" }, { "@id": "csc:RAGOYPUPXAKGKH-XAKZXMRKSA-N", "dbp:inchikey": "RAGOYPUPXAKGKH-XAKZXMRKSA-N", "rdfs:seeAlso": { "@id": "compound:468595" }, "dbo:casNumber": "171228-49-2", "dbo:pubchem": { "@value": "468595", "@type": "xsd:int" }, "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": { "@language": "en", "@value": "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" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001984" }, "skos:prefLabel": { "@language": "nl", "@value": "posaconazol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C37H42F2N8O4", "skos:notation": "poscnzl", "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" }, { "@id": "csc:UPGTYLFCVNHBTN-XMLQVSDQSA-N", "dbo:pubchem": { "@value": "6441561", "@type": "xsd:int" }, "dbp:inchikey": "UPGTYLFCVNHBTN-XMLQVSDQSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cholesta-5,22-dien-3-beta-ol" }, "dbo:casNumber": [ "566-89-2", "70755-51-0", "6810-14-6", "137760-64-6", "136897-21-7", "34347-28-9" ], "dbo:formula": "C27H44O", "dbo:smiles": "CC(C)CC=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001469" }, "dbo:iupacName": { "@language": "en", "@value": "(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" }, "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", "rdfs:seeAlso": { "@id": "compound:6441561" }, "skos:notation": "chol522Den3b" }, { "@id": "csc:ZDHYERRNXRANLI-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:19578" }, "dbo:formula": "C10H15O5PS2", "skos:notation": "fentosfn", "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", "skos:prefLabel": { "@language": "nl", "@value": "fenthion-sulfon" }, "dbo:pubchem": { "@value": "19578", "@type": "xsd:int" }, "dbo:casNumber": "3761-42-0", "dbo:iupacName": { "@language": "en", "@value": "dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidenephosphorane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "dbp:inchikey": "ZDHYERRNXRANLI-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC(=C1)OP(=S)(OC)OC)S(=O)(=O)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_2032-65-7" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "metocb", "dbo:casNumber": [ "716-16-5", "2032-65-7" ], "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:formula": "C11H15NO2S", "dbo:pubchem": { "@value": "16248", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate" }, "skos:prefLabel": { "@language": "nl", "@value": "methiocarb" }, "dbp:inchikey": "YFBPRJGDJKVWAH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004742" }, "rdfs:seeAlso": { "@id": "compound:16248" }, "dbo:smiles": "CC1=CC(=CC(=C1SC)C)OC(=O)NC" }, { "@id": "csc:WSWCOQWTEOXDQX-MQQKCMAXSA-N", "dbo:smiles": "CC=CC=CC(=O)O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H8O2", "dbo:casNumber": [ "5309-56-8", "110-44-1", "91751-55-2", "22500-92-1" ], "rdfs:seeAlso": { "@id": "compound:643460" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "sorbnzr", "dbo:pubchem": { "@value": "643460", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['Hexa-2,4-dienoic acid', '(4E)-hexa-2,4-dienoic acid']" }, "dbo:inchi": "InChI=1S/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)/b3-2+,5-4+", "dbp:inchikey": "WSWCOQWTEOXDQX-MQQKCMAXSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "skos:prefLabel": { "@language": "nl", "@value": "sorbinezuur" } }, { "@id": "csc:IJJVMEJXYNJXOJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "fluquinconazool" }, "dbp:inchikey": "IJJVMEJXYNJXOJ-UHFFFAOYSA-N", "skos:notation": "fluqcnzl", "dbo:pubchem": { "@value": "86417", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3-(2,4-dichlorophenyl)-6-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one" }, "rdfs:seeAlso": { "@id": "compound:86417" }, "skos:broader": { "@id": "csc:CHEMONTID_0002314" }, "dbo:casNumber": "136426-54-5", "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", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1=CC2=C(C=C1F)C(=O)N(C(=N2)N3C=NC=N3)C4=C(C=C(C=C4)Cl)Cl", "dbo:formula": "C16H8Cl2FN5O" }, { "@id": "csc:QQONPFPTGQHPMA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:8252" }, "dbo:iupacName": { "@language": "en", "@value": "prop-1-ene" }, "dbo:formula": "C3H6", "dbp:inchikey": "QQONPFPTGQHPMA-UHFFFAOYSA-N", "skos:notation": "1C3e", "dbo:casNumber": [ "676-63-1", "33004-01-2", "115-07-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1-propeen" }, "dbo:smiles": "CC=C", "dbo:inchi": "InChI=1S/C3H6/c1-3-2/h3H,1H2,2H3", "dbo:pubchem": { "@value": "8252", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004476" } }, { "@id": "csc:MYMOFIZGZYHOMD-UHFFFAOYSA-N", "dbo:casNumber": [ "14797-70-7", "12185-07-8", "80937-33-3", "1338-93-8", "80217-98-7", "58238-79-2", "7782-44-7" ], "dbo:formula": "O2", "rdfs:seeAlso": { "@id": "compound:977" }, "dbp:inchikey": "MYMOFIZGZYHOMD-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/O2/c1-2", "dbo:pubchem": { "@value": "977", "@type": "xsd:int" }, "skos:notation": "O2", "skos:altLabel": { "@language": "nl", "@value": "Zuurstof (O2)" }, "dbo:smiles": "O=O", "dbo:iupacName": { "@language": "en", "@value": "Molecular oxygen" }, "skos:prefLabel": { "@language": "nl", "@value": "zuurstof" } }, { "@id": "csc:FRPZMMHWLSIFAZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5634" }, "dbo:pubchem": { "@value": "5634", "@type": "xsd:int" }, "dbo:casNumber": [ "112-38-9", "1333-28-4" ], "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "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:smiles": "C=CCCCCCCCCC(=O)O", "dbo:formula": "C11H20O2", "dbp:inchikey": "FRPZMMHWLSIFAZ-UHFFFAOYSA-N", "skos:notation": "C11ezr", "skos:prefLabel": { "@language": "nl", "@value": "undeceenzuur" }, "dbo:iupacName": { "@language": "en", "@value": "Undec-10-enoic acid" } }, { "@id": "csc:JLEKLYQXZHJOTQ-UHFFFAOYSA-M", "skos:altLabel": [ { "@language": "nl", "@value": "acesulfame K" }, { "@language": "nl", "@value": "acesulfaam" } ], "skos:notation": [ "acsfmeK", "acsfm" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "45489782", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['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']" }, "dbo:casNumber": [ "33665-90-6", "55589-62-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0000265" }, "dbp:inchikey": "JLEKLYQXZHJOTQ-UHFFFAOYSA-M", "dbo:formula": "C4H4KNO4S", "dbo:smiles": "CC1=CC(=O)N=S(=O)(O1)[O-].[K+]", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "acesulfame k" }, "rdfs:seeAlso": { "@id": "compound:45489782" } }, { "@id": "csc:HYTRYEXINDDXJK-UHFFFAOYSA-N", "dbo:casNumber": "565-69-5", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-3-pentanon" }, "dbo:smiles": "CCC(=O)C(C)C", "skos:notation": "2C1y3C5on", "dbo:inchi": "InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3", "rdfs:seeAlso": { "@id": "compound:11265" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "dbo:formula": "C6H12O", "dbo:iupacName": { "@language": "en", "@value": "2-Methylpentan-3-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "11265", "@type": "xsd:int" }, "dbp:inchikey": "HYTRYEXINDDXJK-UHFFFAOYSA-N" }, { "@id": "csc:MPPOHAUSNPTFAJ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "113158-40-0", "95617-09-7", "108093-88-5", "73519-55-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0004674" }, "dbo:iupacName": { "@language": "en", "@value": "2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid" }, "skos:notation": "fenoxppP", "skos:altLabel": { "@language": "nl", "@value": "fenoxaprop-P" }, "dbo:formula": "C16H12ClNO5", "rdfs:seeAlso": { "@id": "compound:86134" }, "skos:prefLabel": { "@language": "nl", "@value": "fenoxaprop-p" }, "dbo:pubchem": { "@value": "86134", "@type": "xsd:int" }, "dbo:smiles": "CC(C(=O)O)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl", "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)", "dbp:inchikey": "MPPOHAUSNPTFAJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:INYDMNPNDHRJQJ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C7H6N2O4", "dbo:casNumber": "610-39-9", "skos:broader": { "@id": "csc:CHEMONTID_0003969" }, "dbo:smiles": "CC1=CC(=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]", "rdfs:seeAlso": { "@id": "compound:11883" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dinitrotolueen" }, "dbo:pubchem": { "@value": "11883", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "34DNO2Tol", "dbp:inchikey": "INYDMNPNDHRJQJ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)7(4-5)9(12)13/h2-4H,1H3", "dbo:iupacName": { "@language": "en", "@value": "4-Methyl-1,2-dinitrobenzene" } }, { "@id": "csc:QCAHVKJGHYVLIS-UHFFFAOYSA-N", "dbp:inchikey": "QCAHVKJGHYVLIS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004809" }, "skos:notation": "2266T4ClccC6", "dbo:iupacName": { "@language": "en", "@value": "2,2,6,6-Tetrachlorocyclohexan-1-one" }, "dbo:smiles": "C1CC(C(=O)C(C1)(Cl)Cl)(Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2,6,6-tetrachloorcyclohexanon" }, "dbo:casNumber": "3776-30-5", "dbo:inchi": "InChI=1S/C6H6Cl4O/c7-5(8)2-1-3-6(9,10)4(5)11/h1-3H2", "rdfs:seeAlso": { "@id": "compound:77407" }, "dbo:formula": "C6H6Cl4O", "dbo:pubchem": { "@value": "77407", "@type": "xsd:int" } }, { "@id": "csc:XOGYQVITULCUGU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:12469" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4,5-trichlooraniline" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2", "dbo:iupacName": { "@language": "en", "@value": "3,4,5-TRICHLOROANILINE" }, "dbo:casNumber": "634-91-3", "dbo:pubchem": { "@value": "12469", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H4Cl3N", "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "skos:notation": "345TClAn", "dbp:inchikey": "XOGYQVITULCUGU-UHFFFAOYSA-N", "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)N" }, { "@id": "csc:ATBAMAFKBVZNFJ-YPZZEJLDSA-N", "dbo:pubchem": { "@value": "6335489", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6335489" }, "skos:prefLabel": { "@language": "nl", "@value": "beryllium 7" }, "skos:broader": { "@id": "csc:CHEMONTID_0000428" }, "dbp:inchikey": "ATBAMAFKBVZNFJ-YPZZEJLDSA-N", "dbo:iupacName": { "@language": "en", "@value": "beryllium-7" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/Be/i1-2", "dbo:smiles": "[Be]", "skos:notation": "Be7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "13966-02-4", "dbo:formula": "Be" }, { "@id": "csc:QKLPUVXBJHRFQZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:casNumber": [ "102-65-8", "27890-59-1" ], "rdfs:seeAlso": { "@id": "compound:66890" }, "dbp:inchikey": "QKLPUVXBJHRFQZ-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "66890", "@type": "xsd:int" }, "dbo:formula": "C10H9ClN4O2S", "skos:prefLabel": { "@language": "nl", "@value": "sulfaclozine" }, "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide" } }, { "@id": "csc:SECPZKHBENQXJG-BQYQJAHWSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002949" }, "skos:notation": "9C16ezr", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCCCCC=CCCCCCCCC(=O)O", "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:pubchem": { "@value": "5282745", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['(E)-hexadec-9-enoic acid', 'hexadec-9-enoic acid']" }, "rdfs:seeAlso": { "@id": "compound:5282745" }, "skos:prefLabel": { "@language": "nl", "@value": "9-hexadeceenzuur" }, "dbo:casNumber": [ "2091-29-4", "10030-73-6" ], "dbp:inchikey": "SECPZKHBENQXJG-BQYQJAHWSA-N" }, { "@id": "csc:GUVLYNGULCJVDO-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "S-ethyl (dipropylamino)methanethioate" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001368" }, "dbo:formula": "C9H19NOS", "dbo:inchi": "InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3", "rdfs:seeAlso": { "@id": "compound:12968" }, "dbo:pubchem": { "@value": "12968", "@type": "xsd:int" }, "dbo:casNumber": "759-94-4", "dbp:inchikey": "GUVLYNGULCJVDO-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ethyldipropylthiocarbamaat" }, "skos:notation": "EPTC", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCN(CCC)C(=O)SCC" }, { "@id": "csc:GXDHCNNESPLIKD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004620" }, "dbo:smiles": "CCCCC(C)C", "dbo:casNumber": [ "591-76-4", "31394-54-4" ], "dbo:iupacName": { "@language": "en", "@value": "2-Methylhexane" }, "dbp:inchikey": "GXDHCNNESPLIKD-UHFFFAOYSA-N", "skos:notation": "2C1yC6a", "dbo:formula": "C7H16", "rdfs:seeAlso": { "@id": "compound:11582" }, "dbo:pubchem": { "@value": "11582", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "2-methylhexaan" } }, { "@id": "csc:YFSLABAYQDPWPF-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1C2=C(C(=CC(=C2)Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-4-(2,3,5-trichlorophenyl)benzene" }, "dbp:inchikey": "YFSLABAYQDPWPF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,5'-hexachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:40473" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "52663-66-8", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "40473", "@type": "xsd:int" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "PCB130", "dbo:formula": "C12H4Cl6" }, { "@id": "csc:KKEYFWRCBNTPAC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "terfzr", "dbo:casNumber": [ "100-21-0", "211863-90-0" ], "dbo:smiles": "C1=CC(=CC=C1C(=O)O)C(=O)O", "skos:prefLabel": { "@language": "nl", "@value": "tereftaalzuur" }, "dbo:iupacName": { "@language": "en", "@value": "Terephthalic acid" }, "dbp:inchikey": "KKEYFWRCBNTPAC-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001108" }, "rdfs:seeAlso": { "@id": "compound:7489" }, "dbo:formula": "C8H6O4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7489", "@type": "xsd:int" }, "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)" }, { "@id": "csc:NUNQKTCKURIZQX-UHFFFAOYSA-N", "dbo:formula": "C8H18O2", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:40007" }, "dbo:casNumber": "51422-54-9", "dbo:inchi": "InChI=1S/C8H18O2/c1-5-9-6-7-10-8(2,3)4/h5-7H2,1-4H3", "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:smiles": "CCOCCOC(C)(C)C", "dbo:pubchem": { "@value": "40007", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "1-tert-butoxy-2-ethoxyethaan" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-Ethoxyethoxy)-2-methylpropane" }, "skos:notation": "1tC4ox2C2oxC", "dbp:inchikey": "NUNQKTCKURIZQX-UHFFFAOYSA-N" }, { "@id": "csc:LYAGTVMJGHTIDH-UHFFFAOYSA-N", "dbo:smiles": "C(CO[N+](=O)[O-])OCCO[N+](=O)[O-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "LYAGTVMJGHTIDH-UHFFFAOYSA-N", "dbo:formula": "C4H8N2O7", "dbo:casNumber": [ "66492-77-1", "693-21-0" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "DC2yegcDNO3", "skos:broader": { "@id": "csc:CHEMONTID_0004091" }, "dbo:inchi": "InChI=1S/C4H8N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2", "rdfs:seeAlso": { "@id": "compound:61198" }, "skos:prefLabel": { "@language": "nl", "@value": "diethyleenglycoldinitraat" }, "dbo:pubchem": { "@value": "61198", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-nitrooxyethoxy)ethyl nitrate" } }, { "@id": "csc:KZNRNQGTVRTDPN-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "KZNRNQGTVRTDPN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004211" }, "dbo:inchi": "InChI=1S/C8H9Cl/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3", "dbo:pubchem": { "@value": "32883", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:32883" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8H9Cl", "skos:notation": "2Cl14C1yBen", "dbo:casNumber": [ "35442-53-6", "95-72-7" ], "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-1,4-dimethylbenzene" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-1,4-dimethylbenzeen" }, "dbo:smiles": "CC1=CC(=C(C=C1)C)Cl" }, { "@id": "csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "7931", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_108-41-8" }, "dbp:inchikey": "OSOUNOBYRMOXQQ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7931" }, "dbo:formula": "C7H7Cl", "skos:prefLabel": { "@language": "nl", "@value": "3-chloortolueen" }, "dbo:casNumber": "108-41-8", "dbo:inchi": "InChI=1S/C7H7Cl/c1-6-3-2-4-7(8)5-6/h2-5H,1H3", "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-3-methylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC(=CC=C1)Cl", "skos:notation": "3ClTol", "skos:broader": { "@id": "csc:CHEMONTID_0001099" } }, { "@id": "csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:13619" }, "skos:broader": { "@id": "csc:CHEMONTID_0002771" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,5-trichloorfenol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "13619", "@type": "xsd:int" }, "dbo:smiles": "C1=C(C=C(C(=C1O)Cl)Cl)Cl", "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H", "skos:exactMatch": { "@id": "wise:CAS_933-78-8" }, "dbo:formula": "C6H3Cl3O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "235TClFol", "dbp:inchikey": "WWGQHTJIFOQAOC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,3,5-TRICHLOROPHENOL" }, "dbo:casNumber": "933-78-8" }, { "@id": "csc:HCHKCACWOHOZIP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "199281-21-5", "19229-95-9", "7440-66-6", "15176-26-8", "195161-85-4", "12793-53-2" ], "dbo:formula": "Zn", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Zn", "dbo:iupacName": { "@language": "en", "@value": "Zinc" }, "dbo:smiles": "[Zn]", "skos:notation": "Zn", "dbp:inchikey": "HCHKCACWOHOZIP-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7440-66-6" }, "skos:prefLabel": { "@language": "nl", "@value": "zink" }, "rdfs:seeAlso": { "@id": "compound:23994" }, "dbo:pubchem": { "@value": "23994", "@type": "xsd:int" } }, { "@id": "csc:MUBZPKHOEPUJKR-UHFFFAOYSA-N", "dbo:casNumber": [ "63504-28-9", "97993-78-7", "2847-15-6", "144-62-7", "216451-38-6" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "oxaalzuur" }, "dbo:inchi": "InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)", "dbo:iupacName": { "@language": "en", "@value": "oxalic acid" }, "skos:notation": "oxzr", "dbo:smiles": "C(=O)(C(=O)O)O", "dbo:pubchem": { "@value": "971", "@type": "xsd:int" }, "dbo:formula": "C2H2O4", "dbp:inchikey": "MUBZPKHOEPUJKR-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:971" }, "skos:broader": { "@id": "csc:CHEMONTID_0000346" } }, { "@id": "csc:DOOTYTYQINUNNV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6506" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-triethyl 2-hydroxypropane-1,2,3-tricarboxylate" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0001986" }, "skos:notation": "TC2ycitt", "dbo:pubchem": { "@value": "6506", "@type": "xsd:int" }, "dbo:formula": "C12H20O7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "triethylcitraat" }, "dbo:casNumber": "77-93-0", "dbo:smiles": "CCOC(=O)CC(CC(=O)OCC)(C(=O)OCC)O", "dbp:inchikey": "DOOTYTYQINUNNV-UHFFFAOYSA-N" }, { "@id": "csc:FWQYJOPJMIEKHZ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004413" }, "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)", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "FWQYJOPJMIEKHZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:94411" }, "dbo:casNumber": "30391-89-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C10H14N2O", "skos:notation": "iC3yantnlAd", "dbo:pubchem": { "@value": "94411", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-amino-N-propan-2-ylbenzamide" }, "skos:prefLabel": { "@language": "nl", "@value": "isopropylanthranilamide" }, "dbo:smiles": "CC(C)NC(=O)C1=CC=CC=C1N" }, { "@id": "csc:KLSJWNVTNUYHDU-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "KLSJWNVTNUYHDU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "1639", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000099" }, "skos:notation": "amtl", "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" ], "skos:prefLabel": { "@language": "nl", "@value": "amitrol" }, "dbo:formula": "C2H4N4", "dbo:inchi": "InChI=1S/C2H4N4/c3-2-4-1-5-6-2/h1H,(H3,3,4,5,6)", "rdfs:seeAlso": { "@id": "compound:1639" }, "dbo:smiles": "C1=NNC(=N1)N", "dbo:iupacName": { "@language": "en", "@value": "2H-1,2,4-triazol-3-amine" } }, { "@id": "csc:RTZZCYNQPHTPPL-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11137" }, "skos:prefLabel": { "@language": "nl", "@value": "3-nitrofenol" }, "dbp:inchikey": "RTZZCYNQPHTPPL-UHFFFAOYSA-N", "skos:notation": "3NO2Fol", "dbo:casNumber": "554-84-7", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C6H5NO3", "dbo:smiles": "C1=CC(=CC(=C1)O)[N+](=O)[O-]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "11137", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000141" }, "dbo:iupacName": { "@language": "en", "@value": "3-Nitrophenol" }, "dbo:inchi": "InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H" }, { "@id": "csc:UWNADWZGEHDQAB-UHFFFAOYSA-N", "dbo:formula": "C8H18", "dbo:smiles": "CC(C)CCC(C)C", "skos:notation": "25DC1yC6a", "dbo:pubchem": { "@value": "11592", "@type": "xsd:int" }, "dbo:casNumber": "592-13-2", "skos:prefLabel": { "@language": "nl", "@value": "2,5-dimethylhexaan" }, "rdfs:seeAlso": { "@id": "compound:11592" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2,5-Dimethylhexane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004620" }, "dbp:inchikey": "UWNADWZGEHDQAB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C8H18/c1-7(2)5-6-8(3)4/h7-8H,5-6H2,1-4H3" }, { "@id": "csc:HPFVBGJFAYZEBE-ZLQWOROUSA-N", "dbp:inchikey": "HPFVBGJFAYZEBE-ZLQWOROUSA-N", "dbo:iupacName": { "@language": "en", "@value": "[(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" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:441404" }, "dbo:smiles": "CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=CC(=O)CCC35C", "skos:prefLabel": { "@language": "nl", "@value": "testosteron cypionaat" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0001691" }, "dbo:casNumber": "58-20-8", "skos:notation": "testtrcpont", "dbo:formula": "C27H40O3", "dbo:pubchem": { "@value": "441404", "@type": "xsd:int" } }, { "@id": "csc:FDPIMTJIUBPUKL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "3-pentanon" }, "skos:notation": "3C5on", "dbo:smiles": "CCC(=O)CC", "dbo:inchi": "InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3", "dbo:casNumber": "96-22-0", "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "rdfs:seeAlso": { "@id": "compound:7288" }, "dbo:formula": "C5H10O", "dbo:iupacName": { "@language": "en", "@value": "pentan-3-one" }, "dbo:pubchem": { "@value": "7288", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "FDPIMTJIUBPUKL-UHFFFAOYSA-N" }, { "@id": "csc:WQNQTJSLPDZSDK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "n-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide" }, "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: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", "dbo:iupacName": { "@language": "en", "@value": "3-dimethylamino-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonyl)propan-1-amine oxide" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "80475-32-7", "skos:broader": { "@id": "csc:CHEMONTID_0000270" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Capstone A (DPOSA)", "skos:altLabel": { "@language": "nl", "@value": "N-[3-(dimethyloxidoamino)propyl]-tridecafluoroctaansulfonamide" }, "rdfs:seeAlso": { "@id": "compound:157337" }, "dbo:pubchem": { "@value": "157337", "@type": "xsd:int" }, "dbp:inchikey": "WQNQTJSLPDZSDK-UHFFFAOYSA-N" }, { "@id": "csc:GZUXJHMPEANEGY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "CH3Br", "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:casNumber": "74-83-9", "dbo:smiles": "CBr", "dbp:inchikey": "GZUXJHMPEANEGY-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_74-83-9" }, "skos:prefLabel": { "@language": "nl", "@value": "broommethaan" }, "rdfs:seeAlso": { "@id": "compound:6323" }, "skos:notation": "BrC1a", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/CH3Br/c1-2/h1H3", "dbo:pubchem": { "@value": "6323", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Bromomethane" } }, { "@id": "csc:GYHFUZHODSMOHU-UHFFFAOYSA-N", "skos:notation": "C9al", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "nonanal" }, "dbo:smiles": "CCCCCCCCC=O", "dbo:inchi": "InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h9H,2-8H2,1H3", "dbo:casNumber": [ "124-19-6", "75718-12-6" ], "dbo:formula": "C9H18O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002229" }, "rdfs:seeAlso": { "@id": "compound:31289" }, "dbo:iupacName": { "@language": "en", "@value": "Nonanal" }, "dbp:inchikey": "GYHFUZHODSMOHU-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "31289", "@type": "xsd:int" } }, { "@id": "csc:WCUXLLCKKVVCTQ-UHFFFAOYSA-M", "dbp:inchikey": "WCUXLLCKKVVCTQ-UHFFFAOYSA-M", "skos:notation": "KCl", "dbo:casNumber": [ "59217-68-4", "12599-00-7", "126415-35-8", "7447-40-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0000563" }, "skos:prefLabel": { "@language": "nl", "@value": "kaliumchloride" }, "dbo:smiles": "[Cl-].[K+]", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/ClH.K/h1H;/q;+1/p-1", "rdfs:seeAlso": { "@id": "compound:4873" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Potassium chloride" }, "dbo:formula": "ClK", "dbo:pubchem": { "@value": "4873", "@type": "xsd:int" } }, { "@id": "csc:JRLPEMVDPFPYPJ-UHFFFAOYSA-N", "dbp:inchikey": "JRLPEMVDPFPYPJ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C9H12", "dbo:smiles": "CCC1=CC=C(C=C1)C", "skos:broader": { "@id": "csc:CHEMONTID_0001091" }, "skos:notation": "4C2yTol", "dbo:casNumber": "622-96-8", "rdfs:seeAlso": { "@id": "compound:12160" }, "dbo:pubchem": { "@value": "12160", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "4-ethyltolueen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1-Ethyl-4-methylbenzene" } }, { "@id": "csc:ZBCBWPMODOFKDW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8113" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C(CO)NCCO", "dbo:formula": "C4H11NO2", "dbo:casNumber": [ "111-42-2", "61791-44-4", "61791-46-6", "8033-73-6" ], "dbo:inchi": "InChI=1S/C4H11NO2/c6-3-1-5-2-4-7/h5-7H,1-4H2", "skos:broader": { "@id": "csc:CHEMONTID_0001897" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2’-iminodiethanol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "diethanolamine" }, "dbo:pubchem": { "@value": "8113", "@type": "xsd:int" }, "skos:notation": "DC2olAe", "dbp:inchikey": "ZBCBWPMODOFKDW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-(2-Hydroxyethylamino)ethanol" } }, { "@id": "csc:JLTDJTHDQAWBAV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "171745-67-8", "162744-63-0", "121-69-7", "168153-21-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0003901" }, "skos:notation": "NNDC1yAn", "dbo:inchi": "InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3", "dbo:pubchem": { "@value": "949", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-dimethylaniline" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "n,n-dimethylaniline" }, "dbp:inchikey": "JLTDJTHDQAWBAV-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "N,N-dimethylaniline" }, "dbo:smiles": "CN(C)C1=CC=CC=C1", "dbo:formula": "C8H11N", "rdfs:seeAlso": { "@id": "compound:949" } }, { "@id": "csc:SCYULBFZEHDVBN-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C2H4Cl2/c1-2(3)4/h2H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "11DClC2a", "dbo:pubchem": { "@value": "6365", "@type": "xsd:int" }, "dbp:inchikey": "SCYULBFZEHDVBN-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6365" }, "dbo:formula": "C2H4Cl2", "skos:exactMatch": { "@id": "wise:CAS_75-34-3" }, "skos:prefLabel": { "@language": "nl", "@value": "1,1-dichloorethaan" }, "dbo:smiles": "CC(Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,1-DICHLOROETHANE" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:casNumber": "75-34-3" }, { "@id": "csc:DROMNWUQASBTFM-UHFFFAOYSA-N", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbp:inchikey": "DROMNWUQASBTFM-UHFFFAOYSA-N", "dbo:formula": "C26H42O4", "dbo:pubchem": { "@value": "6787", "@type": "xsd:int" }, "dbo:casNumber": [ "68648-92-0", "68515-45-7", "84-76-4" ], "dbo:iupacName": { "@language": "en", "@value": "dinonyl benzene-1,2-dicarboxylate" }, "rdfs:seeAlso": { "@id": "compound:6787" }, "skos:prefLabel": { "@language": "nl", "@value": "dinonylftalaat" }, "dbo:smiles": "CCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC", "skos:notation": "DC9yFt" }, { "@id": "csc:CZRQXSDBMCMPNJ-ZUIPZQNBSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "82009-35-6", "76547-98-3", "83915-83-7" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "CZRQXSDBMCMPNJ-ZUIPZQNBSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004830" }, "skos:notation": "lisnpl", "dbo:formula": "C21H35N3O7", "dbo:smiles": "C1CC(N(C1)C(=O)C(CCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O", "skos:prefLabel": { "@language": "nl", "@value": "lisinopril" }, "dbo:pubchem": { "@value": "5362118", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5362118" }, "dbo:iupacName": { "@language": "en", "@value": "(2S)-1-[(2S)-6-amino-2-[[(2S)-1-hydroxy-1-oxo-4-phenylbutan-2-yl]amino]hexanoyl]pyrrolidine-2-carboxylic acid dihydrate" }, "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" }, { "@id": "csc:UWTUEMKLYAGTNQ-OWOJBTEDSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002864" }, "dbo:inchi": "InChI=1S/C2H2Br2/c3-1-2-4/h1-2H/b2-1+", "skos:notation": "c12DBrC2e", "dbo:pubchem": { "@value": "637929", "@type": "xsd:int" }, "dbo:casNumber": [ "31389-08-9", "590-12-5", "25429-23-6" ], "rdfs:seeAlso": { "@id": "compound:637929" }, "dbp:inchikey": "UWTUEMKLYAGTNQ-OWOJBTEDSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cis-1,2-dibroometheen" }, "dbo:iupacName": { "@language": "en", "@value": "['(E)-1,2-Dibromoethene', '1,2-Dibromoethene']" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H2Br2", "dbo:smiles": "C(=CBr)Br" }, { "@id": "csc:RMBFBMJGBANMMK-UHFFFAOYSA-N", "dbo:formula": "C7H6N2O4", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": [ "185376-54-9", "1326-41-6", "121-14-2", "25321-14-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0003969" }, "dbo:pubchem": { "@value": "8461", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]", "dbo:inchi": "InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3", "rdfs:seeAlso": { "@id": "compound:8461" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-dinitrotolueen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "24DNO2Tol", "dbp:inchikey": "RMBFBMJGBANMMK-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "['1-Methyl-2,4-dinitrobenzene', 'N,N-dihydroxy-4-methyl-3-nitroaniline']" } }, { "@id": "csc:CTKINSOISVBQLD-UHFFFAOYSA-N", "dbo:casNumber": [ "61915-27-3", "98913-54-3", "556-52-5" ], "skos:prefLabel": { "@language": "nl", "@value": "glycidol" }, "dbo:formula": "C3H6O2", "dbo:inchi": "InChI=1S/C3H6O2/c4-1-3-2-5-3/h3-4H,1-2H2", "dbp:inchikey": "CTKINSOISVBQLD-UHFFFAOYSA-N", "skos:notation": "glycdl", "dbo:pubchem": { "@value": "11164", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000159" }, "dbo:smiles": "C1C(O1)CO", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:11164" }, "dbo:iupacName": { "@language": "en", "@value": "oxiran-2-ylmethanol" } }, { "@id": "csc:WSLDOOZREJYCGB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11" }, "skos:exactMatch": { "@id": "wise:CAS_107-06-2" }, "dbo:smiles": "C(CCl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloorethaan" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "11", "@type": "xsd:int" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art. 5.7.1.4/Art. 5.7.7.1" }, { "@language": "nl", "@value": "VLAR III (D3)" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" } ], "skos:altLabel": { "@language": "nl", "@value": "1,2-dichloorethaan (edc)" }, "dbo:iupacName": { "@language": "en", "@value": "['1,2-dichloroethane', '1,2-dichloroethyne']" }, "dbo:casNumber": [ "7572-29-4", "52399-93-6", "107-06-2" ], "dbp:inchikey": "WSLDOOZREJYCGB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C2H4Cl2/c3-1-2-4/h1-2H2", "dbo:formula": "C2H4Cl2", "skos:notation": "12DClC2a" }, { "@id": "csc:KYYIDSXMWOZKMP-UHFFFAOYSA-N", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CN(C)CC(C1=CC=C(C=C1)O)C2(CCCCC2)O", "skos:broader": { "@id": "csc:CHEMONTID_0002647" }, "dbo:casNumber": "93413-62-8", "dbo:formula": "C16H25NO2", "dbo:pubchem": { "@value": "125017", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "o-desmethylvenlafaxine" }, "dbo:iupacName": { "@language": "en", "@value": "4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol" }, "rdfs:seeAlso": { "@id": "compound:125017" }, "dbp:inchikey": "KYYIDSXMWOZKMP-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "desvenlafaxine" }, "skos:notation": "desvlfxne" }, { "@id": "csc:INGSNVSERUZOAK-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "86863", "@type": "xsd:int" }, "dbp:inchikey": "INGSNVSERUZOAK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ritalinezuur" }, "skos:notation": "ritlnzr", "dbo:formula": "C13H17NO2", "skos:broader": { "@id": "csc:CHEMONTID_0003899" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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": { "@language": "en", "@value": "2-phenyl-2-piperidin-2-ylacetic acid" }, "dbo:casNumber": "19395-41-6", "dbo:smiles": "C1CCNC(C1)C(C2=CC=CC=C2)C(=O)O", "rdfs:seeAlso": { "@id": "compound:86863" } }, { "@id": "csc:DUBNHZYBDBBJHD-UHFFFAOYSA-L", "dbp:inchikey": "DUBNHZYBDBBJHD-UHFFFAOYSA-L", "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:inchi": "InChI=1S/2C3H7NS2.Zn/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);/q;;+2/p-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "zinc dimethylaminomethanedithioate" }, "skos:notation": "zirm", "skos:broader": { "@id": "csc:CHEMONTID_0003997" }, "rdfs:seeAlso": { "@id": "compound:8722" }, "dbo:pubchem": { "@value": "8722", "@type": "xsd:int" }, "dbo:smiles": "CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Zn+2]", "dbo:formula": "C6H12N2S4Zn", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "ziram" } }, { "@id": "csc:AFOVBPMGZPJPKX-UHFFFAOYSA-N", "dbo:casNumber": "85-07-4", "dbo:iupacName": { "@language": "en", "@value": "2-(2-methylnaphthalen-1-yl)acetamide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "rdfs:seeAlso": { "@id": "compound:66550" }, "dbo:pubchem": { "@value": "66550", "@type": "xsd:int" }, "dbp:inchikey": "AFOVBPMGZPJPKX-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C2=CC=CC=C2C=C1)CC(=O)N", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:prefLabel": { "@language": "nl", "@value": "methylnaftylaceetamide" }, "skos:notation": "C1yntacAd", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C13H13NO" }, { "@id": "csc:CSEBNABAWMZWIF-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": [ { "@language": "nl", "@value": "2,3,3,3-tetrafluor-2(heptafluorpropoxy)propionzuur" }, { "@language": "nl", "@value": "perfluor-2-propoxypropaanzuur" }, { "@language": "nl", "@value": "perfluor-2-propoxypropaanzuur (hfpo-da)" } ], "skos:notation": [ "FRD-903", "HFPO-DA" ], "dbo:formula": "C6HF11O3", "dbo:casNumber": [ "26099-32-1", "13252-13-6" ], "dbp:inchikey": "CSEBNABAWMZWIF-UHFFFAOYSA-N", "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)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,3,3-tetrafluor-2-(heptafluorpropoxy)propionzuur" }, "dbo:iupacName": { "@language": "en", "@value": "2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid" }, "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:pubchem": { "@value": "114481", "@type": "xsd:int" }, "dbo:smiles": "C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O", "rdfs:seeAlso": { "@id": "compound:114481" } }, { "@id": "csc:AUQAUAIUNJIIEP-UHFFFAOYSA-N", "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)", "rdfs:seeAlso": { "@id": "compound:17592" }, "skos:altLabel": { "@language": "nl", "@value": "trimethacarb" }, "dbo:formula": "C11H15NO2", "dbp:inchikey": "AUQAUAIUNJIIEP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "17592", "@type": "xsd:int" }, "dbo:casNumber": "2686-99-9", "dbo:smiles": "CC1=CC(=CC(=C1C)C)OC(=O)NC", "skos:broader": { "@id": "csc:CHEMONTID_0004742" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4,5-trimethacarb" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "(3,4,5-trimethylphenyl) N-methylcarbamate" }, "skos:notation": "Tmtcb" }, { "@id": "csc:AMCOFRYQNUYHDX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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", "dbp:inchikey": "AMCOFRYQNUYHDX-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003956" }, "dbo:iupacName": { "@language": "en", "@value": "4-(4-amino-3-methylphenyl)-2-methylaniline dihydrofluoride" }, "rdfs:seeAlso": { "@id": "compound:61994" }, "dbo:smiles": "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.F.F", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "3,3'-dimethylbenzidine dihydrofluoride" }, "skos:notation": "33DC1ybzdnDH", "dbo:casNumber": "41766-75-0", "dbo:pubchem": { "@value": "61994", "@type": "xsd:int" }, "dbo:formula": "C14H18F2N2" }, { "@id": "csc:XPKFTIYOZUJAGA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2,5-Diethoxyaniline" }, "dbo:pubchem": { "@value": "66756", "@type": "xsd:int" }, "dbo:casNumber": "94-85-9", "skos:broader": { "@id": "csc:CHEMONTID_0004670" }, "dbo:smiles": "CCOC1=CC(=C(C=C1)OCC)N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "25DC2oxAn", "skos:prefLabel": { "@language": "nl", "@value": "2,5-diethoxyaniline" }, "dbp:inchikey": "XPKFTIYOZUJAGA-UHFFFAOYSA-N", "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:formula": "C10H15NO2", "rdfs:seeAlso": { "@id": "compound:66756" } }, { "@id": "csc:SBNFWQZLDJGRLK-UHFFFAOYSA-N", "dbo:casNumber": [ "73170-79-3", "26002-80-2", "53528-32-8" ], "dbo:formula": "C23H26O3", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "SBNFWQZLDJGRLK-UHFFFAOYSA-N", "skos:notation": "fentn", "skos:prefLabel": { "@language": "nl", "@value": "fenothrin" }, "dbo:pubchem": { "@value": "4767", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(=CC1C(C1(C)C)C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C", "dbo:iupacName": { "@language": "en", "@value": "[3-(phenoxy)phenyl]methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate" }, "rdfs:seeAlso": { "@id": "compound:4767" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0001461" } }, { "@id": "csc:UTBVIMLZIRIFFR-UHFFFAOYSA-N", "dbo:casNumber": [ "31621-01-9", "64036-43-7", "615-22-5" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "11989", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:11989" }, "dbo:smiles": "CSC1=NC2=CC=CC=C2S1", "skos:notation": "2C1ytobztazl", "dbp:inchikey": "UTBVIMLZIRIFFR-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2-methylthiobenzothiazool" }, "dbo:iupacName": { "@language": "en", "@value": "2-methylsulfanyl-1,3-benzothiazole" }, "dbo:inchi": "InChI=1S/C8H7NS2/c1-10-8-9-6-4-2-3-5-7(6)11-8/h2-5H,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0000311" }, "dbo:formula": "C8H7NS2", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:ZOLLIQAKMYWTBR-UDIJVJLMSA-N", "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:casNumber": [ "2765-29-9", "4904-61-4" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C12H18", "dbo:pubchem": { "@value": "5357179", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5357179" }, "skos:notation": "159ccddcten", "dbp:inchikey": "ZOLLIQAKMYWTBR-UDIJVJLMSA-N", "dbo:iupacName": { "@language": "en", "@value": "(1Z,5E,9Z)-cyclododeca-1,5,9-triene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1CC=CCCC=CCCC=C1", "skos:broader": { "@id": "csc:CHEMONTID_0002840" }, "skos:prefLabel": { "@language": "nl", "@value": "1,5,9-cyclododecatrieen" } }, { "@id": "csc:TVFDJXOCXUVLDH-OUBTZVSYSA-N", "rdfs:seeAlso": { "@id": "compound:6335485" }, "dbo:iupacName": { "@language": "en", "@value": "cesium-134" }, "skos:prefLabel": { "@language": "nl", "@value": "cesium 134" }, "dbp:inchikey": "TVFDJXOCXUVLDH-OUBTZVSYSA-N", "dbo:casNumber": "13967-70-9", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "[Cs]", "dbo:inchi": "InChI=1S/Cs/i1+1", "dbo:pubchem": { "@value": "6335485", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbo:formula": "Cs", "skos:notation": "Cs134", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:XQEMNBNCQVQXMO-UHFFFAOYSA-M", "skos:notation": "DfzqtC1ySO4", "dbo:casNumber": "43222-48-6", "dbo:smiles": "CN1C(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "1,2-dimethyl-3,5-diphenylpyrazol-1-ium; methyl sulfate" }, "dbo:formula": "C18H20N2O4S", "rdfs:seeAlso": { "@id": "compound:39424" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XQEMNBNCQVQXMO-UHFFFAOYSA-M", "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:pubchem": { "@value": "39424", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "difenzoquatmethylsulfaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0002019" } }, { "@id": "csc:PYZSVQVRHDXQSL-UHFFFAOYSA-N", "dbo:casNumber": [ "3347-22-6", "95591-89-2", "11096-35-8" ], "dbo:smiles": "C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=C(S3)C#N)C#N", "dbo:iupacName": { "@language": "en", "@value": "5,10-dioxobenzo[g][1,4]benzodithiine-2,3-dicarbonitrile" }, "skos:prefLabel": { "@language": "nl", "@value": "dithianon" }, "rdfs:seeAlso": { "@id": "compound:18771" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "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:formula": "C14H4N2O2S2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PYZSVQVRHDXQSL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "18771", "@type": "xsd:int" }, "skos:notation": "Dtann" }, { "@id": "csc:OWBTYPJTUOEWEK-ZXZARUISSA-N", "dbo:smiles": "CC(C(C)O)O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(2R,3S)-butane-2,3-diol" }, "dbo:casNumber": [ "513-85-9", "5341-95-7" ], "dbo:inchi": "InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4+", "dbp:inchikey": "OWBTYPJTUOEWEK-ZXZARUISSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dimethylglycol" }, "skos:notation": "23C4aDol", "skos:broader": { "@id": "csc:CHEMONTID_0002467" }, "dbo:pubchem": { "@value": "220010", "@type": "xsd:int" }, "dbo:formula": "C4H10O2", "rdfs:seeAlso": { "@id": "compound:220010" } }, { "@id": "csc:LTEQMZWBSYACLV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "hexylbenzeen" }, "dbo:pubchem": { "@value": "14109", "@type": "xsd:int" }, "dbp:inchikey": "LTEQMZWBSYACLV-UHFFFAOYSA-N", "dbo:casNumber": [ "74296-34-7", "1320-01-0", "1077-16-3" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "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": { "@language": "en", "@value": "Hexylbenzene" }, "dbo:formula": "C12H18", "rdfs:seeAlso": { "@id": "compound:14109" }, "dbo:smiles": "CCCCCCC1=CC=CC=C1", "skos:notation": "C6yBen" }, { "@id": "csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_79-34-5" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2-Tetrachloroethane" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:pubchem": { "@value": "6591", "@type": "xsd:int" }, "dbo:casNumber": "79-34-5", "dbo:inchi": "InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H", "skos:notation": "1122T4ClC2a", "skos:prefLabel": { "@language": "nl", "@value": "1,1,2,2-tetrachloorethaan" }, "rdfs:seeAlso": { "@id": "compound:6591" }, "dbo:formula": "C2H2Cl4", "dbo:smiles": "C(C(Cl)Cl)(Cl)Cl", "dbp:inchikey": "QPFMBZIOSGYJDE-UHFFFAOYSA-N" }, { "@id": "csc:ORMSTDJYMPIZAO-UHFFFAOYSA-N", "skos:notation": "HCFK131", "dbo:formula": "C2H2Cl3F", "dbo:inchi": "InChI=1S/C2H2Cl3F/c3-1(4)2(5)6/h1-2H", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "359-28-4", "134237-34-6" ], "dbo:pubchem": { "@value": "9666", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2,2-trichloorfluorethaan (fc-131)" }, "dbo:smiles": "C(C(Cl)Cl)(F)Cl", "skos:altLabel": { "@language": "nl", "@value": "1,2,2-trichloorfluorethaan (Fc-131)" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "rdfs:seeAlso": { "@id": "compound:9666" }, "dbp:inchikey": "ORMSTDJYMPIZAO-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2-TRICHLORO-2-FLUOROETHANE" } }, { "@id": "csc:WXZOXVVKILCOPG-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004010" }, "skos:prefLabel": { "@language": "nl", "@value": "bis(2-ethylhexyl)ester 1,3-benzeendicarbonzuur" }, "dbo:casNumber": "137-89-3", "skos:notation": "bis2C2yC6yEs", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:8733" }, "dbo:pubchem": { "@value": "8733", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC", "dbo:formula": "C24H38O4", "dbp:inchikey": "WXZOXVVKILCOPG-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "bis(2-ethylhexyl) benzene-1,3-dicarboxylate" }, "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" }, { "@id": "csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N", "skos:notation": "3Cl4C1yAn", "rdfs:seeAlso": { "@id": "compound:7255" }, "dbo:casNumber": "95-74-9", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "3-Chloro-4-methylaniline" }, "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3", "dbo:formula": "C7H8ClN", "dbp:inchikey": "RQKFYFNZSHWXAW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7255", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_95-74-9" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=C(C=C(C=C1)N)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-4-methylaniline" } }, { "@id": "csc:PPTYJKAXVCCBDU-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "3380", "@type": "xsd:int" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "flunitrazepam" }, "dbp:inchikey": "PPTYJKAXVCCBDU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one" }, "dbo:formula": "C16H12FN3O3", "dbo:casNumber": "1622-62-4", "dbo:smiles": "CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F", "skos:broader": { "@id": "csc:CHEMONTID_0004097" }, "rdfs:seeAlso": { "@id": "compound:3380" }, "skos:notation": "fluntzpm" }, { "@id": "csc:MBGYSHXGENGTBP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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:smiles": "CCCCC(CC)COC(=O)CCCCC(=O)O", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "dbo:pubchem": { "@value": "20342", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MBGYSHXGENGTBP-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "mono-(2-ethylhexyl)-hexaandioaat" }, "rdfs:seeAlso": { "@id": "compound:20342" }, "dbo:iupacName": { "@language": "en", "@value": "6-(2-ethylhexoxy)-6-oxohexanoic acid" }, "dbo:casNumber": "4337-65-9", "skos:notation": "M2C2yC6yC6aD" }, { "@id": "csc:GUYMMHOQXYZMJQ-UHFFFAOYSA-N", "skos:notation": "NC2y3C1yAn", "dbo:iupacName": { "@language": "en", "@value": "N-Ethyl-3-methylaniline" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CCNC1=CC=CC(=C1)C", "rdfs:seeAlso": { "@id": "compound:7603" }, "dbo:pubchem": { "@value": "7603", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "dbp:inchikey": "GUYMMHOQXYZMJQ-UHFFFAOYSA-N", "dbo:casNumber": "102-27-2", "dbo:formula": "C9H13N", "skos:altLabel": { "@language": "nl", "@value": "n-ethyl-3-methylaniline" }, "skos:prefLabel": { "@language": "nl", "@value": "N-ethyl-3-methylaniline" }, "dbo:inchi": "InChI=1S/C9H13N/c1-3-10-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3" }, { "@id": "csc:FPYJFEHAWHCUMM-UHFFFAOYSA-N", "dbo:casNumber": [ "184288-31-1", "224641-16-1", "24937-72-2", "108-31-6", "224641-13-8", "224641-15-0" ], "dbp:inchikey": "FPYJFEHAWHCUMM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002223" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7923", "@type": "xsd:int" }, "skos:notation": "25furDon", "rdfs:seeAlso": { "@id": "compound:7923" }, "dbo:inchi": "InChI=1S/C4H2O3/c5-3-1-2-4(6)7-3/h1-2H", "dbo:iupacName": { "@language": "en", "@value": "furan-2,5-dione" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C4H2O3", "dbo:smiles": "C1=CC(=O)OC1=O", "skos:prefLabel": { "@language": "nl", "@value": "2,5-furaandion" } }, { "@id": "csc:WXFWXFIWDGJRSC-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "78974", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2,5-DIMETHOXY-2,5-DIHYDROFURAN" }, "dbp:inchikey": "WXFWXFIWDGJRSC-UHFFFAOYSA-N", "skos:notation": "25DHOx25DC1o", "dbo:formula": "C6H10O3", "dbo:smiles": "COC1C=CC(O1)OC", "skos:broader": { "@id": "csc:CHEMONTID_0001983" }, "rdfs:seeAlso": { "@id": "compound:78974" }, "skos:prefLabel": { "@language": "nl", "@value": "2,5-dihydro-2,5-dimethoxyfuran" }, "dbo:inchi": "InChI=1S/C6H10O3/c1-7-5-3-4-6(8-2)9-5/h3-6H,1-2H3", "dbo:casNumber": "332-77-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WXWCDTXEKCVRRO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "120-71-8", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methoxy-5-methylaniline" }, "dbo:pubchem": { "@value": "8445", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8445" }, "dbo:inchi": "InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3", "skos:notation": "5C1yoansdne", "dbp:inchikey": "WXWCDTXEKCVRRO-UHFFFAOYSA-N", "dbo:formula": "C8H11NO", "skos:broader": { "@id": "csc:CHEMONTID_0004670" }, "dbo:smiles": "CC1=CC(=C(C=C1)OC)N", "skos:prefLabel": { "@language": "nl", "@value": "5-methyl-o-anisidine" } }, { "@id": "csc:KYWIYKKSMDLRDC-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "8163", "@type": "xsd:int" }, "skos:notation": "2C11on", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "2-undecanon" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "dbo:formula": "C11H22O", "dbp:inchikey": "KYWIYKKSMDLRDC-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCCCCC(=O)C", "dbo:iupacName": { "@language": "en", "@value": "Undecan-2-one" }, "dbo:casNumber": "112-12-9", "rdfs:seeAlso": { "@id": "compound:8163" } }, { "@id": "csc:BXAONUZFBUNTQR-UHFFFAOYSA-N", "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", "skos:notation": "33DClbzdnDHC", "dbo:casNumber": "612-83-9", "skos:prefLabel": { "@language": "nl", "@value": "3,3'-dichloorbenzidine dihydrochloride" }, "skos:broader": { "@id": "csc:CHEMONTID_0003956" }, "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2)N)Cl)Cl)N.Cl.Cl", "dbo:formula": "C12H12Cl4N2", "dbo:iupacName": { "@language": "en", "@value": "4-(4-amino-3-chlorophenyl)-2-chloroaniline dihydrochloride" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "11933", "@type": "xsd:int" }, "dbp:inchikey": "BXAONUZFBUNTQR-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11933" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HPNMFZURTQLUMO-UHFFFAOYSA-N", "skos:notation": "DC2yAe", "dbo:pubchem": { "@value": "8021", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "di-ethylamine " }, { "@language": "nl", "@value": "di-ethylamine" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "diethylamine" }, "dbo:smiles": "CCNCC", "dbo:inchi": "InChI=1S/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:8021" }, "dbo:casNumber": "109-89-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:iupacName": { "@language": "en", "@value": "N-ethylethanamine" }, "skos:exactMatch": { "@id": "wise:CAS_109-89-7" }, "dbp:inchikey": "HPNMFZURTQLUMO-UHFFFAOYSA-N", "dbo:formula": "C4H11N" }, { "@id": "csc:YIEDHPBKGZGLIK-UHFFFAOYSA-L", "dbo:pubchem": { "@value": "41478", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "tetrakis(hydroxymethyl)phosphanium sulfate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "55566-30-8", "58591-11-0", "65257-04-7" ], "skos:prefLabel": { "@language": "nl", "@value": "tetrakis(hydroxymethyl)fosfoniumsulfaat" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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", "dbp:inchikey": "YIEDHPBKGZGLIK-UHFFFAOYSA-L", "skos:notation": "T4kHOC1yPSO4", "skos:broader": { "@id": "csc:CHEMONTID_0001180" }, "dbo:smiles": "C(O)[P+](CO)(CO)CO.C(O)[P+](CO)(CO)CO.[O-]S(=O)(=O)[O-]", "rdfs:seeAlso": { "@id": "compound:41478" }, "dbo:formula": "C8H24O12P2S" }, { "@id": "csc:BVGDXTYHVRFEQZ-UHFFFAOYSA-N", "dbp:inchikey": "BVGDXTYHVRFEQZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:107953" }, "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2)Br)Br)Br)Br", "skos:notation": "PBDE77", "dbo:iupacName": { "@language": "en", "@value": "1,2-dibromo-4-(3,4-dibromophenyl)benzene" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "77102-82-0", "dbo:pubchem": { "@value": "107953", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "3,3',4,4'-tetrabroomdifenylether" }, "skos:broader": { "@id": "csc:CHEMONTID_0003954" }, "dbo:formula": "C12H6Br4" }, { "@id": "csc:RIQIBKLXYRWFEJ-BRBBMYSQSA-J", "rdfs:seeAlso": { "@id": "compound:9570455" }, "dbo:casNumber": [ "190258-21-0", "28407-37-6", "23909-66-2", "72882-28-1", "10401-50-0", "27569-07-9" ], "skos:prefLabel": { "@language": "nl", "@value": "C.I. Direct Blue 218" }, "dbo:iupacName": { "@language": "en", "@value": "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" }, "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]", "skos:altLabel": { "@language": "nl", "@value": "c.i. direct blue 218" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "cidbe218", "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "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:formula": "C32H20Cu2N6Na4O16S4", "dbo:pubchem": { "@value": "9570455", "@type": "xsd:int" }, "dbp:inchikey": "RIQIBKLXYRWFEJ-BRBBMYSQSA-J", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:MOQGCGNUWBPGTQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "432-25-7", "52844-21-0" ], "dbo:inchi": "InChI=1S/C10H16O/c1-8-5-4-6-10(2,3)9(8)7-11/h7H,4-6H2,1-3H3", "skos:notation": "226TC1y1ccC6", "dbo:pubchem": { "@value": "9895", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9895" }, "dbp:inchikey": "MOQGCGNUWBPGTQ-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C(CCC1)(C)C)C=O", "skos:broader": { "@id": "csc:CHEMONTID_0003940" }, "dbo:formula": "C10H16O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,6,6-trimethyl-1-cyclohexeen-1-carboxaldehyde" }, "dbo:iupacName": { "@language": "en", "@value": "2,6,6-Trimethylcyclohexene-1-carbaldehyde" } }, { "@id": "csc:JNTHRSHGARDABO-UHFFFAOYSA-N", "skos:notation": "DBaiP", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "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" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "191-30-0", "dbo:pubchem": { "@value": "9119", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000316" }, "dbp:inchikey": "JNTHRSHGARDABO-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_191-30-0" }, "dbo:smiles": "C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4", "rdfs:seeAlso": { "@id": "compound:9119" }, "dbo:formula": "C24H14", "skos:prefLabel": { "@language": "nl", "@value": "dibenzo(a,i)pyreen" }, "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" }, { "@id": "csc:KLDXJTOLSGUMSJ-JGWLITMVSA-N", "dbo:casNumber": [ "49871-92-3", "42750-75-4", "50974-60-2", "652-67-5", "151380-60-8", "152881-21-5" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:12597" }, "dbo:iupacName": { "@language": "en", "@value": "(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol" }, "dbo:smiles": "C1C(C2C(O1)C(CO2)O)O", "dbp:inchikey": "KLDXJTOLSGUMSJ-JGWLITMVSA-N", "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:formula": "C6H10O4", "skos:prefLabel": { "@language": "nl", "@value": "isosorbide" }, "skos:notation": "issbde", "skos:broader": { "@id": "csc:CHEMONTID_0001987" }, "dbo:pubchem": { "@value": "12597", "@type": "xsd:int" } }, { "@id": "csc:HZRSNVGNWUDEFX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:casNumber": "175013-18-0", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "pyrcsbn", "dbo:smiles": "COC(=O)N(C1=CC=CC=C1COC2=NN(C=C2)C3=CC=C(C=C3)Cl)OC", "skos:broader": { "@id": "csc:CHEMONTID_0002019" }, "dbo:pubchem": { "@value": "6422843", "@type": "xsd:int" }, "dbp:inchikey": "HZRSNVGNWUDEFX-UHFFFAOYSA-N", "dbo:formula": "C19H18ClN3O4", "skos:prefLabel": { "@language": "nl", "@value": "pyraclostrobin" }, "rdfs:seeAlso": { "@id": "compound:6422843" }, "dbo:iupacName": { "@language": "en", "@value": "methyl N-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-N-methoxycarbamate" } }, { "@id": "csc:JRZJOMJEPLMPRA-UHFFFAOYSA-N", "dbo:formula": "C9H18", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "1C9e", "dbo:casNumber": [ "68526-55-6", "124-11-8", "68855-57-2" ], "rdfs:seeAlso": { "@id": "compound:31285" }, "dbp:inchikey": "JRZJOMJEPLMPRA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "non-1-ene" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "1-noneen" }, "dbo:pubchem": { "@value": "31285", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004476" }, "dbo:smiles": "CCCCCCCC=C", "dbo:inchi": "InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h3H,1,4-9H2,2H3" }, { "@id": "csc:LTCDLGUFORGHGY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "7-aminoflunitrazepam" }, "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", "rdfs:seeAlso": { "@id": "compound:92294" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CN1C(=O)CN=C(C2=C1C=CC(=C2)N)C3=CC=CC=C3F", "dbp:inchikey": "LTCDLGUFORGHGY-UHFFFAOYSA-N", "skos:notation": "7Aofntzpm", "dbo:iupacName": { "@language": "en", "@value": "7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0004097" }, "dbo:casNumber": "34084-50-9", "dbo:pubchem": { "@value": "92294", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C16H14FN3O" }, { "@id": "csc:HWSSEYVMGDIFMH-UHFFFAOYSA-N", "dbo:formula": "C14H22O6", "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:smiles": "CC(=C)C(=O)OCCOCCOCCOC(=O)C(=C)C", "skos:broader": { "@id": "csc:CHEMONTID_0000346" }, "dbo:pubchem": { "@value": "7979", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "triethyleenglycol dimethacrylaat" }, "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", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "HWSSEYVMGDIFMH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate" }, "skos:notation": "TC2yegclDmtc", "rdfs:seeAlso": { "@id": "compound:7979" } }, { "@id": "csc:ZJMLMBICUVVJDX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:14993" }, "dbo:iupacName": { "@language": "en", "@value": "4-[tri(phenyl)methyl]morpholine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1COCCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004524" }, "dbo:casNumber": "1420-06-0", "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", "dbp:inchikey": "ZJMLMBICUVVJDX-UHFFFAOYSA-N", "skos:notation": "Tfmf", "dbo:pubchem": { "@value": "14993", "@type": "xsd:int" }, "dbo:formula": "C23H23NO", "skos:prefLabel": { "@language": "nl", "@value": "trifenmorf" } }, { "@id": "csc:VOXZDWNPVJITMN-SFFUCWETSA-N", "dbp:inchikey": "VOXZDWNPVJITMN-SFFUCWETSA-N", "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol" }, "skos:prefLabel": { "@language": "nl", "@value": "17alpha-estradiol" }, "dbo:smiles": "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O", "skos:altLabel": { "@language": "nl", "@value": "17-alfa-estradiol" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "17aestDol", "dbo:pubchem": { "@value": "68570", "@type": "xsd:int" }, "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:casNumber": "57-91-0", "skos:broader": { "@id": "csc:CHEMONTID_0003570" }, "dbo:formula": "C18H24O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:68570" } }, { "@id": "csc:KGSQRFPDZCBVBS-UHFFFAOYSA-N", "dbo:casNumber": "38939-88-7", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "KGSQRFPDZCBVBS-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C7H6ClNO2", "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-4-nitrotolueen" }, "dbo:smiles": "CC1=CC(=C(C=C1)[N+](=O)[O-])Cl", "dbo:iupacName": { "@language": "en", "@value": "2-chloro-4-methyl-1-nitrobenzene" }, "dbo:pubchem": { "@value": "123478", "@type": "xsd:int" }, "skos:notation": "3Cl4NO2Tol", "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "rdfs:seeAlso": { "@id": "compound:123478" }, "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3" }, { "@id": "csc:RRRXPPIDPYTNJG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide" }, "skos:notation": "PFOSA", "dbp:inchikey": "RRRXPPIDPYTNJG-UHFFFAOYSA-N", "dbo:formula": "C8H2F17NO2S", "skos:altLabel": [ { "@language": "nl", "@value": "perfluor-n-octaansulfonamide" }, { "@language": "nl", "@value": "perfluoroctaansulfonamide (pfosa)" } ], "dbo:pubchem": { "@value": "69785", "@type": "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", "rdfs:seeAlso": { "@id": "compound:69785" }, "dbo:casNumber": "754-91-6", "skos:broader": { "@id": "csc:CHEMONTID_0003960" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluoroctaansulfonamide" } }, { "@id": "csc:TVMXDCGIABBOFY-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "octane" }, "dbo:casNumber": [ "31372-91-5", "50985-84-7", "111-65-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "octaan" }, "dbo:inchi": "InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8H18", "dbo:pubchem": { "@value": "356", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "n-octaan" }, "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "rdfs:seeAlso": { "@id": "compound:356" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "dbp:inchikey": "TVMXDCGIABBOFY-UHFFFAOYSA-N", "skos:notation": "C8a", "dbo:smiles": "CCCCCCCC" }, { "@id": "csc:GUUHFMWKWLOQMM-NTCAYCPXSA-N", "skos:prefLabel": { "@language": "nl", "@value": "alfa-hexylcinnamaldehyde" }, "skos:notation": "aC6ycinnAh", "skos:broader": { "@id": "csc:CHEMONTID_0000029" }, "dbo:smiles": "CCCCCCC(=CC1=CC=CC=C1)C=O", "rdfs:seeAlso": { "@id": "compound:1550884" }, "dbo:pubchem": { "@value": "1550884", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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+", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "101-86-0", "dbp:inchikey": "GUUHFMWKWLOQMM-NTCAYCPXSA-N", "dbo:iupacName": { "@language": "en", "@value": "['2-(phenylmethylidene)octanal', '(2E)-2-(phenylmethylidene)octanal']" } }, { "@id": "csc:JXTHEWSKYLZVJC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-(naphthalen-1-ylcarbamoyl)benzoic acid" }, "dbo:pubchem": { "@value": "8594", "@type": "xsd:int" }, "dbp:inchikey": "JXTHEWSKYLZVJC-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "dbo:formula": "C18H13NO3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "naptlm", "rdfs:seeAlso": { "@id": "compound:8594" }, "skos:prefLabel": { "@language": "nl", "@value": "naptalam" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC=CC=C3C(=O)O", "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:casNumber": "132-66-1" }, { "@id": "csc:MGLWZSOBALDPEK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "simetryn" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "rdfs:seeAlso": { "@id": "compound:13905" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "1014-70-6", "dbo:iupacName": { "@language": "en", "@value": "N,N'-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine" }, "dbo:formula": "C8H15N5S", "dbo:smiles": "CCNC1=NC(=NC(=N1)SC)NCC", "dbp:inchikey": "MGLWZSOBALDPEK-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004735" }, "skos:notation": "simtn", "dbo:pubchem": { "@value": "13905", "@type": "xsd:int" } }, { "@id": "csc:BEMXOWRVWRNPPL-UHFFFAOYSA-N", "dbo:smiles": "COP(=O)(OC)SCN1C(=O)C2=CC=CC=C2C1=O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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", "rdfs:seeAlso": { "@id": "compound:77323" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "3735-33-9", "skos:broader": { "@id": "csc:CHEMONTID_0004749" }, "skos:prefLabel": { "@language": "nl", "@value": "fosmet-oxon" }, "skos:notation": "fosmOon", "dbo:formula": "C11H12NO5PS", "dbo:iupacName": { "@language": "en", "@value": "2-(dimethoxyphosphorylsulfanylmethyl)isoindole-1,3-dione" }, "dbo:pubchem": { "@value": "77323", "@type": "xsd:int" }, "dbp:inchikey": "BEMXOWRVWRNPPL-UHFFFAOYSA-N" }, { "@id": "csc:RLLPVAHGXHCWKJ-MJGOQNOKSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "[3-(phenoxy)phenyl]methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" }, "rdfs:seeAlso": { "@id": "compound:43859" }, "dbp:inchikey": "RLLPVAHGXHCWKJ-MJGOQNOKSA-N", "dbo:casNumber": "61949-77-7", "skos:notation": "tpermtn", "dbo:formula": "C21H20Cl2O3", "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "dbo:smiles": "CC1(C(C1C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C", "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", "skos:prefLabel": { "@language": "nl", "@value": "trans-permetryn" }, "dbo:pubchem": { "@value": "43859", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "trans-permethrin" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VNFPBHJOKIVQEB-UHFFFAOYSA-N", "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", "skos:prefLabel": { "@language": "nl", "@value": "clotrimazol" }, "dbo:casNumber": [ "23593-75-1", "117829-71-7" ], "dbo:formula": "C22H17ClN2", "dbo:smiles": "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4", "skos:broader": { "@id": "csc:CHEMONTID_0004524" }, "dbo:iupacName": { "@language": "en", "@value": "1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VNFPBHJOKIVQEB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:2812" }, "skos:notation": "clotmzl", "dbo:pubchem": { "@value": "2812", "@type": "xsd:int" } }, { "@id": "csc:MUDSDYNRBDKLGK-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-Methylquinoline" }, "rdfs:seeAlso": { "@id": "compound:10285" }, "dbp:inchikey": "MUDSDYNRBDKLGK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10285", "@type": "xsd:int" }, "dbo:formula": "C10H9N", "skos:notation": "4C1yqnlne", "dbo:inchi": "InChI=1S/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3", "dbo:smiles": "CC1=CC=NC2=CC=CC=C12", "dbo:casNumber": "491-35-0", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001253" }, "skos:prefLabel": { "@language": "nl", "@value": "4-methylquinoline" } }, { "@id": "csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N", "dbo:formula": "NO3-", "dbo:iupacName": { "@language": "en", "@value": "['NITRATE', 'azonic acid']" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:exactMatch": { "@id": "wise:CAS_14797-55-8" }, "dbo:casNumber": [ "84145-82-4", "14797-55-8" ], "skos:prefLabel": { "@language": "nl", "@value": "nitraat" }, "skos:notation": "NO3", "dbo:pubchem": { "@value": "943", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[N+](=O)([O-])[O-]", "rdfs:seeAlso": { "@id": "compound:943" }, "dbo:inchi": "InChI=1S/NO3/c2-1(3)4/q-1", "dbp:inchikey": "NHNBFGGVMKEFGY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001062" } }, { "@id": "csc:PLHJDBGFXBMTGZ-WEVVVXLNSA-N", "dbo:formula": "C8H7N3O5", "skos:broader": { "@id": "csc:CHEMONTID_0000194" }, "dbo:pubchem": { "@value": "5323714", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "furazolidon" }, "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+", "rdfs:seeAlso": { "@id": "compound:5323714" }, "skos:notation": "furzldn", "dbo:casNumber": [ "67-45-8", "8023-25-4", "8027-73-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "PLHJDBGFXBMTGZ-WEVVVXLNSA-N", "dbo:iupacName": { "@language": "en", "@value": "3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one" }, "dbo:smiles": "C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]" }, { "@id": "csc:NUIURNJTPRWVAP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0003956" }, "skos:prefLabel": { "@language": "nl", "@value": "3,3'-dimethylbenzidine" }, "dbo:pubchem": { "@value": "8413", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8413" }, "dbp:inchikey": "NUIURNJTPRWVAP-UHFFFAOYSA-N", "dbo:casNumber": "119-93-7", "dbo:formula": "C14H16N2", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N", "skos:notation": "33DC1ybzdne", "dbo:iupacName": { "@language": "en", "@value": "4-(4-amino-3-methylphenyl)-2-methylaniline" } }, { "@id": "csc:QCCDLTOVEPVEJK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7678", "@type": "xsd:int" }, "dbo:formula": "C9H10O", "dbo:inchi": "InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "fenylaceton" }, "skos:notation": "Fyactn", "dbo:casNumber": [ "136675-26-8", "103-79-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "rdfs:seeAlso": { "@id": "compound:7678" }, "dbp:inchikey": "QCCDLTOVEPVEJK-UHFFFAOYSA-N", "dbo:smiles": "CC(=O)CC1=CC=CC=C1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1-phenylpropan-2-one" } }, { "@id": "csc:CXRFDZFCGOPDTD-UHFFFAOYSA-M", "dbo:smiles": "CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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:casNumber": [ "10182-92-0", "1119-97-7", "114568-24-0", "8044-71-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "skos:notation": "C14yTC1yNH4B", "dbo:formula": "C17H38BrN", "rdfs:seeAlso": { "@id": "compound:14250" }, "dbo:pubchem": { "@value": "14250", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "trimethyl-tetradecylazanium bromide" }, "dbp:inchikey": "CXRFDZFCGOPDTD-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "tetradecyltrimethylammonium bromide" } }, { "@id": "csc:KJTLSVCANCCWHF-UHFFFAOYSA-N", "dbo:casNumber": [ "7440-18-8", "100041-48-3", "57572-01-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KJTLSVCANCCWHF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:formula": "Ru", "dbo:smiles": "[Ru]", "dbo:inchi": "InChI=1S/Ru", "skos:prefLabel": { "@language": "nl", "@value": "ruthenium" }, "dbo:pubchem": { "@value": "23950", "@type": "xsd:int" }, "skos:notation": "Ru", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "RUTHENIUM" }, "rdfs:seeAlso": { "@id": "compound:23950" } }, { "@id": "csc:KWGUFOITWDSNQY-UHFFFAOYSA-N", "dbo:formula": "C10H12BrCl2O3PS", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": [ { "@language": "nl", "@value": "bromophos-ethyl" }, { "@language": "nl", "@value": "bromofos-ethyl" } ], "skos:notation": "C2yBrfs", "dbo:casNumber": "4824-78-6", "dbo:iupacName": { "@language": "en", "@value": "(4-bromo-2,5-dichlorophenoxy)-diethoxy-sulfanylidenephosphorane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "20965", "@type": "xsd:int" }, "dbo:smiles": "CCOP(=S)(OCC)OC1=CC(=C(C=C1Cl)Br)Cl", "rdfs:seeAlso": { "@id": "compound:20965" }, "dbp:inchikey": "KWGUFOITWDSNQY-UHFFFAOYSA-N", "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", "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "skos:prefLabel": { "@language": "nl", "@value": "ethylbromofos" } }, { "@id": "csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art)" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.8.1.'B(a)P'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR II (D2) 'benzo(a)pyreen'" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000316" }, "dbo:formula": "C20H12", "skos:exactMatch": { "@id": "wise:CAS_50-32-8" }, "dbo:casNumber": [ "34505-58-3", "6699-27-0", "819804-28-9", "50-32-8", "42299-33-2" ], "dbp:inchikey": "FMMWHPNWAFZXNH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Benzo[a]pyrene" }, "skos:altLabel": { "@language": "nl", "@value": "benzo(a)pyreen" }, "rdfs:seeAlso": { "@id": "compound:2336" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3", "skos:notation": "BaP", "dbo:pubchem": { "@value": "2336", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "benzo(a)pyreen (b)" }, "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" }, { "@id": "csc:GTCAXTIRRLKXRU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11722" }, "dbo:smiles": "COC(=O)N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0004787" }, "skos:prefLabel": { "@language": "nl", "@value": "methylcarbamaat" }, "dbo:casNumber": "598-55-0", "skos:notation": "C1ycbmt", "dbo:pubchem": { "@value": "11722", "@type": "xsd:int" }, "dbp:inchikey": "GTCAXTIRRLKXRU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C2H5NO2/c1-5-2(3)4/h1H3,(H2,3,4)", "dbo:iupacName": { "@language": "en", "@value": "Methyl carbamate" }, "dbo:formula": "C2H5NO2" }, { "@id": "csc:JEWUXLHWYRSHJK-UHFFFAOYSA-N", "dbo:smiles": "C(C(C(F)(F)F)(Cl)Cl)(F)F", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2-dichloor-1,1,1,3,3-pentafluorpropaan" }, "dbo:pubchem": { "@value": "62315", "@type": "xsd:int" }, "dbo:formula": "C3HCl2F5", "skos:notation": "HCFK225aa", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,2-DICHLORO-1,1,1,3,3-PENTAFLUOROPROPANE" }, "rdfs:seeAlso": { "@id": "compound:62315" }, "dbo:casNumber": "128903-21-9", "dbp:inchikey": "JEWUXLHWYRSHJK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C3HCl2F5/c4-2(5,1(6)7)3(8,9)10/h1H", "skos:broader": { "@id": "csc:CHEMONTID_0001517" } }, { "@id": "csc:SDUQYLNIPVEERB-QPPQHZFASA-N", "dbp:inchikey": "SDUQYLNIPVEERB-QPPQHZFASA-N", "dbo:iupacName": { "@language": "en", "@value": "4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one" }, "skos:notation": "gemctbne", "skos:prefLabel": { "@language": "nl", "@value": "gemcitabine" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C9H11F2N3O4", "dbo:pubchem": { "@value": "60750", "@type": "xsd:int" }, "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", "rdfs:seeAlso": { "@id": "compound:60750" }, "skos:broader": { "@id": "csc:CHEMONTID_0002180" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F", "dbo:casNumber": "95058-81-4" }, { "@id": "csc:HGLDOAKPQXAFKI-IGMARMGPSA-N", "skos:notation": "Cf251", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:167416" }, "skos:prefLabel": { "@language": "nl", "@value": "californium 251" }, "dbo:pubchem": { "@value": "167416", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Cf/i1+0", "dbo:casNumber": "15765-19-2", "dbo:smiles": "[Cf]", "dbp:inchikey": "HGLDOAKPQXAFKI-IGMARMGPSA-N", "dbo:iupacName": { "@language": "en", "@value": "californium-251" }, "dbo:formula": "Cf", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000430" } }, { "@id": "csc:QCDQDISRALTLNQ-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "n,n-dimethyl-n'-fenylsulfamide" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "QCDQDISRALTLNQ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "78441", "@type": "xsd:int" }, "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:casNumber": "4710-17-2", "skos:prefLabel": { "@language": "nl", "@value": "N,N-dimethyl-N'-fenylsulfamide" }, "skos:notation": "NNDC1yNFysAd", "dbo:iupacName": { "@language": "en", "@value": "(dimethylsulfamoylamino)benzene" }, "dbo:formula": "C8H12N2O2S", "rdfs:seeAlso": { "@id": "compound:78441" }, "dbo:smiles": "CN(C)S(=O)(=O)NC1=CC=CC=C1", "skos:broader": { "@id": "csc:CHEMONTID_0000038" } }, { "@id": "csc:XKVUYEYANWFIJX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000087" }, "dbo:formula": "C4H6N2", "dbo:inchi": "InChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)", "dbo:casNumber": [ "88054-14-2", "1453-58-3" ], "dbo:pubchem": { "@value": "15073", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "3-methylpyrazol" }, "dbo:smiles": "CC1=CC=NN1", "skos:notation": "3C1yprzl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XKVUYEYANWFIJX-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3-methyl-2H-pyrazole" }, "rdfs:seeAlso": { "@id": "compound:15073" } }, { "@id": "csc:KJRCEJOSASVSRA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6364", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-propaanthiol" }, "dbo:iupacName": { "@language": "en", "@value": "Propane-2-thiol" }, "skos:broader": { "@id": "csc:CHEMONTID_0001212" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "KJRCEJOSASVSRA-UHFFFAOYSA-N", "dbo:smiles": "CC(C)S", "skos:notation": "2C3atol", "dbo:casNumber": "75-33-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H8S/c1-3(2)4/h3-4H,1-2H3", "dbo:formula": "C3H8S", "rdfs:seeAlso": { "@id": "compound:6364" } }, { "@id": "csc:STUSTWKEFDQFFZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CC1=C(C=CC(=C1)Cl)N=CN(C)C", "dbo:iupacName": { "@language": "en", "@value": "N'-(4-Chloro-2-methylphenyl)-N,N-dimethylmethanimidamide" }, "rdfs:seeAlso": { "@id": "compound:22544" }, "dbo:inchi": "InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3", "dbo:pubchem": { "@value": "22544", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "STUSTWKEFDQFFZ-UHFFFAOYSA-N", "dbo:formula": "C10H13ClN2", "skos:prefLabel": { "@language": "nl", "@value": "chloordimeform" }, "skos:notation": "ClDmfm", "dbo:casNumber": "6164-98-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:MUMQYXACQUZOFP-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004749" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-chloro-1-diethoxyphosphinothioylsulfanylethyl)isoindole-1,3-dione" }, "dbo:smiles": "CCOP(=S)(OCC)SC(CCl)N1C(=O)C2=CC=CC=C2C1=O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Dalfs", "dbp:inchikey": "MUMQYXACQUZOFP-UHFFFAOYSA-N", "dbo:casNumber": "10311-84-9", "dbo:formula": "C14H17ClNO4PS2", "rdfs:seeAlso": { "@id": "compound:25146" }, "dbo:pubchem": { "@value": "25146", "@type": "xsd:int" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "dialifos" } }, { "@id": "csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N", "dbo:casNumber": [ "2008-58-4", "70852-53-8" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:16183" }, "skos:altLabel": { "@language": "nl", "@value": "2,6-dichlorobenzamide (bam)" }, "dbo:inchi": "InChI=1S/C7H5Cl2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", "dbo:iupacName": { "@language": "en", "@value": "2,6-Dichlorobenzamide" }, "skos:exactMatch": { "@id": "wise:CAS_2008-58-4" }, "skos:notation": "26DClBenAd", "skos:broader": { "@id": "csc:CHEMONTID_0003098" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "16183", "@type": "xsd:int" }, "dbo:formula": "C7H5Cl2NO", "skos:prefLabel": { "@language": "nl", "@value": "2,6-dichloorbenzamide" }, "dbp:inchikey": "JHSPCUHPSIUQRB-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)C(=O)N)Cl" }, { "@id": "csc:VYZCFAPUHSSYCC-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1Cl)S(=O)(=O)O)N", "skos:prefLabel": { "@language": "nl", "@value": "2-amino-5-chloor-4-methylbenzeensulfonzuur" }, "dbo:pubchem": { "@value": "6936", "@type": "xsd:int" }, "skos:notation": "2Ao5Cl4C1yBe", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C7H8ClNO3S", "skos:broader": { "@id": "csc:CHEMONTID_0003278" }, "dbo:iupacName": { "@language": "en", "@value": "2-AMINO-5-CHLORO-4-METHYLBENZENESULFONIC ACID" }, "rdfs:seeAlso": { "@id": "compound:6936" }, "dbo:casNumber": "88-53-9", "dbp:inchikey": "VYZCFAPUHSSYCC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)" }, { "@id": "csc:RHLVCLIPMVJYKS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:246728" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "ethylamylketon" }, "skos:notation": "C2yamktn", "dbo:pubchem": { "@value": "246728", "@type": "xsd:int" }, "dbo:casNumber": "106-68-3", "dbo:inchi": "InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "Octan-3-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "dbp:inchikey": "RHLVCLIPMVJYKS-UHFFFAOYSA-N", "dbo:smiles": "CCCCCC(=O)CC", "dbo:formula": "C8H16O", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:LPXPTNMVRIOKMN-UHFFFAOYSA-M", "dbo:casNumber": [ "56227-20-4", "82497-43-6", "82998-40-1", "32863-15-3", "7632-00-0" ], "dbo:iupacName": { "@language": "en", "@value": "SODIUM NITRITE" }, "dbo:inchi": "InChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "NNaO2", "rdfs:seeAlso": { "@id": "compound:24269" }, "dbo:smiles": "N(=O)[O-].[Na+]", "dbo:pubchem": { "@value": "24269", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "natriumnitriet" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "NNaO2", "skos:broader": { "@id": "csc:CHEMONTID_0000644" }, "dbp:inchikey": "LPXPTNMVRIOKMN-UHFFFAOYSA-M" }, { "@id": "csc:DJHGAFSJWGLOIV-UHFFFAOYSA-K", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "AsO4", "rdfs:seeAlso": { "@id": "compound:27401" }, "dbo:formula": "AsO4-3", "dbo:casNumber": [ "11126-32-2", "15584-04-0", "25537-06-8" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001474" }, "dbo:pubchem": { "@value": "27401", "@type": "xsd:int" }, "dbo:smiles": "[O-][As](=O)([O-])[O-]", "dbo:inchi": "InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-3", "skos:prefLabel": { "@language": "nl", "@value": "arsenaat" }, "dbo:iupacName": { "@language": "en", "@value": "arsorate" }, "dbp:inchikey": "DJHGAFSJWGLOIV-UHFFFAOYSA-K" }, { "@id": "csc:LCGTWRLJTMHIQZ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "11H-benzo[b][1]benzazepine" }, "rdfs:seeAlso": { "@id": "compound:9212" }, "dbo:pubchem": { "@value": "9212", "@type": "xsd:int" }, "skos:notation": "5HDbenzbfazp", "skos:prefLabel": { "@language": "nl", "@value": "5h-dibenz[b,f]azepine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000320" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "5H-dibenz[b,f]azepine" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2", "dbo:casNumber": "256-96-2", "dbp:inchikey": "LCGTWRLJTMHIQZ-UHFFFAOYSA-N", "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" }, { "@id": "csc:IMSSROKUHAOUJS-MJCUULBUSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "53445-46-8", "72-33-3", "43085-54-7" ], "dbo:pubchem": { "@value": "6291", "@type": "xsd:int" }, "skos:notation": "mesnl", "skos:prefLabel": { "@language": "nl", "@value": "mestranol" }, "dbo:iupacName": { "@language": "en", "@value": "(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" }, "rdfs:seeAlso": { "@id": "compound:6291" }, "dbo:formula": "C21H26O2", "skos:broader": { "@id": "csc:CHEMONTID_0001466" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "IMSSROKUHAOUJS-MJCUULBUSA-N", "dbo:smiles": "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC", "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" }, { "@id": "csc:BHAAPTBBJKJZER-UHFFFAOYSA-N", "dbp:inchikey": "BHAAPTBBJKJZER-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C7H9NO", "skos:prefLabel": { "@language": "nl", "@value": "p-anisidine" }, "dbo:casNumber": "104-94-9", "dbo:iupacName": { "@language": "en", "@value": "4-Methoxyaniline" }, "dbo:smiles": "COC1=CC=C(C=C1)N", "dbo:inchi": "InChI=1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3", "rdfs:seeAlso": { "@id": "compound:7732" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004670" }, "dbo:pubchem": { "@value": "7732", "@type": "xsd:int" }, "skos:notation": "pansdne" }, { "@id": "csc:DTGKSKDOIYIVQL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol" }, "skos:prefLabel": { "@language": "nl", "@value": "borneol" }, "skos:notation": "bornol", "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:pubchem": { "@value": "64685", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "507-70-0", "10385-78-1" ], "dbo:smiles": "CC1(C2CCC1(C(C2)O)C)C", "dbo:formula": "C10H18O", "rdfs:seeAlso": { "@id": "compound:64685" }, "skos:broader": { "@id": "csc:CHEMONTID_0001564" }, "dbp:inchikey": "DTGKSKDOIYIVQL-UHFFFAOYSA-N" }, { "@id": "csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N", "skos:prefLabel": { "@language": "nl", "@value": "erytromycine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C37H67NO13", "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:notation": "ertmcne", "dbo:casNumber": [ "114-07-8", "82343-12-2" ], "dbp:inchikey": "ULGZDMOVFRHVEP-RWJQBGPGSA-N", "rdfs:seeAlso": { "@id": "compound:12560" }, "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", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "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": { "@language": "en", "@value": "(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" }, "dbo:pubchem": { "@value": "12560", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_114-07-8" } }, { "@id": "csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C6H4ClNO2", "dbo:pubchem": { "@value": "8489", "@type": "xsd:int" }, "dbp:inchikey": "KMAQZIILEGKYQZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H", "dbo:smiles": "C1=CC(=CC(=C1)Cl)[N+](=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-3-nitrobenzene" }, "rdfs:seeAlso": { "@id": "compound:8489" }, "skos:notation": "1Cl3NO2Ben", "dbo:casNumber": "121-73-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-3-nitrobenzeen" }, "skos:exactMatch": { "@id": "wise:CAS_121-73-3" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" } }, { "@id": "csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N", "dbo:formula": "C2H3Cl3O2", "dbo:inchi": "InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "109128-19-0", "302-17-0" ], "skos:exactMatch": { "@id": "wise:CAS_302-17-0" }, "dbo:iupacName": { "@language": "en", "@value": "2,2,2-Trichloroethane-1,1-diol" }, "dbo:smiles": "C(C(Cl)(Cl)Cl)(O)O", "dbp:inchikey": "RNFNDJAIBTYOQL-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "trichlooracetaldehyde-hydraat" }, { "@language": "nl", "@value": "trichlooracetal-dehyde-hydraat" } ], "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "skos:notation": "Clahdt", "dbo:pubchem": { "@value": "2707", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "chloralhydraat" }, "rdfs:seeAlso": { "@id": "compound:2707" } }, { "@id": "csc:RKELNIPLHQEBJO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "41451-28-9", "151852-28-7", "71888-89-6" ], "dbo:iupacName": { "@language": "en", "@value": "bis(5-methylhexyl) benzene-1,2-dicarboxylate" }, "skos:prefLabel": { "@language": "nl", "@value": "di-isoheptylftalaat (mix van isomeren)" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:formula": "C22H34O4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "RKELNIPLHQEBJO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "591200", "@type": "xsd:int" }, "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", "rdfs:seeAlso": { "@id": "compound:591200" }, "dbo:smiles": "CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C" }, { "@id": "csc:SJWFXCIHNDVPSH-UHFFFAOYSA-N", "dbo:smiles": "CCCCCCC(C)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "25339-16-6", "123-96-6", "6169-06-8", "113301-48-7", "113244-40-9", "4128-31-8" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3", "dbp:inchikey": "SJWFXCIHNDVPSH-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "20083", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-octanol" }, "rdfs:seeAlso": { "@id": "compound:20083" }, "skos:notation": "2C8ol", "skos:broader": { "@id": "csc:CHEMONTID_0001334" }, "dbo:iupacName": { "@language": "en", "@value": "octan-2-ol" }, "dbo:formula": "C8H18O" }, { "@id": "csc:XTFIVUDBNACUBN-UHFFFAOYSA-N", "dbo:casNumber": [ "204655-61-8", "50579-23-2", "121-82-4", "57608-45-4", "53800-53-6", "82030-42-0" ], "dbo:smiles": "C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]", "skos:notation": "RDX", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002798" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,3,5-trinitro-1,3,5-triazinane" }, "skos:prefLabel": { "@language": "nl", "@value": "hexahydro-1,3,5-trinitro-1,3,5-triazin (rdx)" }, "dbo:formula": "C3H6N6O6", "skos:altLabel": { "@language": "nl", "@value": "hexahydro-1,3,5-trinitro-1,3,5-triazin (RDX)" }, "rdfs:seeAlso": { "@id": "compound:8490" }, "dbo:inchi": "InChI=1S/C3H6N6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H2", "dbo:pubchem": { "@value": "8490", "@type": "xsd:int" }, "dbp:inchikey": "XTFIVUDBNACUBN-UHFFFAOYSA-N" }, { "@id": "csc:NTBYINQTYWZXLH-UHFFFAOYSA-N", "skos:notation": "34DClNO2Ben", "dbo:smiles": "C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl", "dbo:formula": "C6H3Cl2NO2", "dbp:inchikey": "NTBYINQTYWZXLH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2-Dichloro-4-nitrobenzene" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dichloornitrobenzeen" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "99-54-7", "skos:exactMatch": { "@id": "wise:CAS_99-54-7" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:pubchem": { "@value": "7443", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:7443" }, "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-O", "skos:notation": "NH4", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "[NH4+]", "dbo:casNumber": [ "14798-03-9", "6684-80-6", "14158-23-7" ], "dbp:inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-O", "skos:exactMatch": { "@id": "wise:CAS_14798-03-9" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "skos:prefLabel": { "@language": "nl", "@value": "ammonium" }, "rdfs:seeAlso": { "@id": "compound:223" }, "dbo:formula": "H4N+", "dbo:iupacName": { "@language": "en", "@value": "['azanium', 'nitrogen(+1) dihydride cation']" }, "dbo:pubchem": { "@value": "223", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/H3N/h1H3/p+1", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N", "skos:notation": "iOxnl", "rdfs:seeAlso": { "@id": "compound:15530" }, "dbo:smiles": "C1=C(C=C(C(=C1I)O)I)C#N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "NRXQIUSYPAHGNM-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_1689-83-4" }, "dbo:pubchem": { "@value": "15530", "@type": "xsd:int" }, "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": { "@language": "en", "@value": "4-Hydroxy-3,5-diiodobenzonitrile" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "1689-83-4", "skos:broader": { "@id": "csc:CHEMONTID_0001530" }, "skos:prefLabel": { "@language": "nl", "@value": "ioxynil" } }, { "@id": "csc:VDLGAVXLJYLFDH-UHFFFAOYSA-N", "dbo:formula": "C14H17Cl2NO2", "dbp:inchikey": "VDLGAVXLJYLFDH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "N-(2,3-dichloro-4-hydroxyphenyl)-1-methylcyclohexane-1-carboxamide" }, "dbo:pubchem": { "@value": "213031", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000285" }, "skos:prefLabel": { "@language": "nl", "@value": "fenhexamide" }, "skos:notation": "fenhxAd", "dbo:smiles": "CC1(CCCCC1)C(=O)NC2=C(C(=C(C=C2)O)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:213031" }, "dbo:casNumber": "126833-17-8", "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)" }, { "@id": "csc:JDWJZEXJARCHAT-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C1C=CC=CC1[Sn]", "skos:broader": { "@id": "csc:CHEMONTID_0004441" }, "dbo:formula": "C6H7Sn", "dbo:iupacName": { "@language": "en", "@value": "1-cyclohexa-2,4-dienyltin" }, "skos:prefLabel": { "@language": "nl", "@value": "monofenyltin" }, "dbo:inchi": "InChI=1S/C6H7.Sn/c1-2-4-6-5-3-1;/h1-5H,6H2;", "dbo:pubchem": { "@value": "6335496", "@type": "xsd:int" }, "dbp:inchikey": "JDWJZEXJARCHAT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "2406-68-0", "rdfs:seeAlso": { "@id": "compound:6335496" } }, { "@id": "csc:OGPBJKLSAFTDLK-AKLPVKDBSA-N", "dbo:pubchem": { "@value": "105088", "@type": "xsd:int" }, "dbo:casNumber": "14391-16-3", "dbo:inchi": "InChI=1S/Eu/i1+3", "dbo:formula": "Eu", "dbo:smiles": "[Eu]", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "Eu155", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "OGPBJKLSAFTDLK-AKLPVKDBSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "skos:prefLabel": { "@language": "nl", "@value": "europium 155" }, "rdfs:seeAlso": { "@id": "compound:105088" }, "dbo:iupacName": { "@language": "en", "@value": "europium-155" } }, { "@id": "csc:OPKOKAMJFNKNAS-UHFFFAOYSA-N", "skos:notation": "NMEA", "dbo:formula": "C3H9NO", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "109-83-1", "rdfs:seeAlso": { "@id": "compound:8016" }, "skos:prefLabel": { "@language": "nl", "@value": "n-methylethanolamine" }, "dbp:inchikey": "OPKOKAMJFNKNAS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001897" }, "dbo:pubchem": { "@value": "8016", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CNCCO", "dbo:iupacName": { "@language": "en", "@value": "2-Methylaminoethanol" }, "dbo:inchi": "InChI=1S/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3", "skos:altLabel": { "@language": "nl", "@value": "N-methylethanolamine" } }, { "@id": "csc:LFQSCWFLJHTTHZ-UHFFFAOYSA-N", "dbo:casNumber": [ "8024-45-1", "71329-38-9", "8000-16-6", "71076-86-3", "68475-56-9", "121182-78-3", "64-17-5" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art 5.23.1.1." }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'alkylalcohol'" } ], "dbo:iupacName": { "@language": "en", "@value": "ethanol" }, "rdfs:seeAlso": { "@id": "compound:702" }, "skos:notation": "C2OH", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "skos:prefLabel": { "@language": "nl", "@value": "ethanol" }, "dbo:formula": "C2H6O", "dbo:inchi": "InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3", "dbo:pubchem": { "@value": "702", "@type": "xsd:int" }, "dbp:inchikey": "LFQSCWFLJHTTHZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCO" }, { "@id": "csc:XCYJPXQACVEIOS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000355" }, "skos:notation": "1iC3y3C1yBen", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC1=CC(=CC=C1)C(C)C", "dbo:pubchem": { "@value": "10812", "@type": "xsd:int" }, "dbp:inchikey": "XCYJPXQACVEIOS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3", "rdfs:seeAlso": { "@id": "compound:10812" }, "dbo:iupacName": { "@language": "en", "@value": "1-methyl-3-propan-2-ylbenzene" }, "dbo:casNumber": "535-77-3", "skos:prefLabel": { "@language": "nl", "@value": "1-isopropyl-3-methyl-benzeen (m-cymeen)" }, "dbo:formula": "C10H14" }, { "@id": "csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N", "dbo:casNumber": [ "37223-69-1", "101963-73-9", "1897-45-6" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001530" }, "dbo:iupacName": { "@language": "en", "@value": "2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile" }, "dbo:smiles": "C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)C#N)Cl", "dbp:inchikey": "CRQQGFGUEAVUIL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14", "dbo:formula": "C8Cl4N2", "dbo:pubchem": { "@value": "15910", "@type": "xsd:int" }, "skos:notation": "Cltlnl", "rdfs:seeAlso": { "@id": "compound:15910" }, "skos:exactMatch": { "@id": "wise:CAS_1897-45-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorthalonil" } }, { "@id": "csc:VPOMSPZBQMDLTM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11571" }, "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H", "dbo:pubchem": { "@value": "11571", "@type": "xsd:int" }, "dbo:casNumber": "591-35-5", "skos:notation": "35DClFol", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:iupacName": { "@language": "en", "@value": "3,5-Dichlorophenol" }, "dbo:formula": "C6H4Cl2O", "dbp:inchikey": "VPOMSPZBQMDLTM-UHFFFAOYSA-N", "dbo:smiles": "C1=C(C=C(C=C1Cl)Cl)O", "skos:prefLabel": { "@language": "nl", "@value": "3,5-dichloorfenol" } }, { "@id": "csc:JLYXXMFPNIAWKQ-CDRYSYESSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:727" }, "dbp:inchikey": "JLYXXMFPNIAWKQ-CDRYSYESSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane" }, "skos:notation": "bHCH", "dbo:casNumber": "319-85-7", "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:smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl", "skos:prefLabel": { "@language": "nl", "@value": "beta-hexachloorcyclohexaan" }, "skos:altLabel": [ { "@language": "nl", "@value": "β-lindaan" }, { "@language": "nl", "@value": "β-hexachlorocyclohexaan" } ], "dbo:formula": "C6H6Cl6", "skos:exactMatch": { "@id": "wise:CAS_319-85-7" }, "skos:broader": { "@id": "csc:CHEMONTID_0004485" } }, { "@id": "csc:MKPDWECBUAZOHP-AFYJWTTESA-N", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbo:casNumber": "53-33-8", "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", "dbp:inchikey": "MKPDWECBUAZOHP-AFYJWTTESA-N", "dbo:pubchem": { "@value": "5875", "@type": "xsd:int" }, "dbo:formula": "C22H29FO5", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:5875" }, "dbo:smiles": "CC1CC2C3CC(C4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C)F", "skos:notation": "parmtsn", "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "paramethason" } }, { "@id": "csc:JLYXXMFPNIAWKQ-GNIYUCBRSA-N", "dbo:smiles": "Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl", "skos:altLabel": [ { "@language": "nl", "@value": "γ-hexachlorocyclohexaan" }, { "@language": "nl", "@value": "γ-lindaan" }, { "@language": "nl", "@value": "lindaan" } ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004485" }, "dbp:inchikey": "JLYXXMFPNIAWKQ-GNIYUCBRSA-N", "skos:notation": "gHCH", "skos:exactMatch": { "@id": "wise:CAS_58-89-9" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "gamma-hexachloorcyclohexaan" }, "rdfs:seeAlso": { "@id": "compound:727" }, "dbo:formula": "C6H6Cl6", "dbo:casNumber": "58-89-9", "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+" }, { "@id": "csc:CJDWRQLODFKPEL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide" }, "dbo:pubchem": { "@value": "91734", "@type": "xsd:int" }, "dbp:inchikey": "CJDWRQLODFKPEL-UHFFFAOYSA-N", "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:casNumber": [ "83121-18-0", "99039-56-2" ], "dbo:smiles": "C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)F)Cl)F", "rdfs:seeAlso": { "@id": "compound:91734" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "tefbzrn", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:formula": "C14H6Cl2F4N2O2", "skos:prefLabel": { "@language": "nl", "@value": "teflubenzuron" } }, { "@id": "csc:DLFVBJFMPXGRIB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "178", "@type": "xsd:int" }, "dbo:formula": "C2H5NO", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "60-35-5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "DLFVBJFMPXGRIB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:178" }, "skos:broader": { "@id": "csc:CHEMONTID_0002484" }, "skos:prefLabel": { "@language": "nl", "@value": "aceetamide" }, "dbo:iupacName": { "@language": "en", "@value": "ACETAMIDE" }, "dbo:inchi": "InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)", "dbo:smiles": "CC(=O)N", "skos:notation": "actAd" }, { "@id": "csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N", "dbo:casNumber": [ "37246-37-0", "62650-70-8", "37269-05-9", "37261-68-0", "12794-00-2", "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:iupacName": { "@language": "en", "@value": "TITANIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "[Ti]", "skos:exactMatch": { "@id": "wise:CAS_7440-32-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Ti", "dbo:pubchem": { "@value": "23963", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "titanium" }, "dbp:inchikey": "RTAQQCXQSZGOHL-UHFFFAOYSA-N", "skos:notation": "Ti", "skos:prefLabel": { "@language": "nl", "@value": "titaan" }, "dbo:inchi": "InChI=1S/Ti", "rdfs:seeAlso": { "@id": "compound:23963" } }, { "@id": "csc:RLFWWDJHLFCNIJ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "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:pubchem": { "@value": "2151", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-amino-1,5-dimethyl-2-phenylpyrazol-3-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N", "skos:notation": "4Aoatprne", "dbo:formula": "C11H13N3O", "skos:broader": { "@id": "csc:CHEMONTID_0002019" }, "dbo:casNumber": "83-07-8", "dbp:inchikey": "RLFWWDJHLFCNIJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "4-aminoantipyrine" }, "rdfs:seeAlso": { "@id": "compound:2151" } }, { "@id": "csc:QQVHEQUEHCEAKS-UHFFFAOYSA-N", "dbo:casNumber": [ "3648-20-2", "85507-79-5", "154766-25-3" ], "skos:prefLabel": { "@language": "nl", "@value": "diundecylftalaat (vertakt en lineair)" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:formula": "C30H50O4", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "di-n-undecylftalaat" }, { "@language": "nl", "@value": "diundecylftalaat" } ], "dbp:inchikey": "QQVHEQUEHCEAKS-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "19283", "@type": "xsd:int" }, "skos:notation": [ "DC11yFt", "DC11yFtvteln" ], "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:smiles": "CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC", "dbo:iupacName": { "@language": "en", "@value": "diundecyl benzene-1,2-dicarboxylate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:19283" } }, { "@id": "csc:ZLCSFXXPPANWQY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001091" }, "dbo:casNumber": "620-14-4", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C9H12", "skos:prefLabel": { "@language": "nl", "@value": "3-ethyltolueen" }, "skos:notation": "3C2yTol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "12100", "@type": "xsd:int" }, "dbo:smiles": "CCC1=CC=CC(=C1)C", "dbp:inchikey": "ZLCSFXXPPANWQY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "1-Ethyl-3-methylbenzene" }, "rdfs:seeAlso": { "@id": "compound:12100" } }, { "@id": "csc:TZMHVHLTPWKZCI-UHFFFAOYSA-N", "dbp:inchikey": "TZMHVHLTPWKZCI-UHFFFAOYSA-N", "dbo:casNumber": "52663-71-5", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C(=C1C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl", "skos:notation": "PCB171", "rdfs:seeAlso": { "@id": "compound:40478" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene" }, "dbo:pubchem": { "@value": "40478", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,4',6-heptachloorbifenyl" }, "dbo:formula": "C12H3Cl7" }, { "@id": "csc:JGFYQVQAXANWJU-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "NaFactt", "skos:prefLabel": { "@language": "nl", "@value": "natriumfluoracetaat" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H2FNaO2", "dbo:inchi": "InChI=1S/C2H3FO2.Na/c3-1-2(4)5;/h1H2,(H,4,5);/q;+1/p-1", "dbp:inchikey": "JGFYQVQAXANWJU-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "sodium 2-fluoroacetate" }, "dbo:smiles": "C(C(=O)[O-])F.[Na+]", "rdfs:seeAlso": { "@id": "compound:6123" }, "dbo:pubchem": { "@value": "6123", "@type": "xsd:int" }, "dbo:casNumber": "62-74-8", "skos:broader": { "@id": "csc:CHEMONTID_0003000" } }, { "@id": "csc:YATDSXRLIUJOQN-UHFFFAOYSA-N", "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:notation": "fenftn", "dbo:iupacName": { "@language": "en", "@value": "(2,3,4,5,6-pentafluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" }, "skos:prefLabel": { "@language": "nl", "@value": "fenfluthrin" }, "dbo:pubchem": { "@value": "128901", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001097" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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", "rdfs:seeAlso": { "@id": "compound:128901" }, "dbo:formula": "C15H11Cl2F5O2", "dbo:casNumber": "67640-14-6", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:YXIWHUQXZSMYRE-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3H-1,3-benzothiazole-2-thione" }, "dbo:inchi": "InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)", "rdfs:seeAlso": { "@id": "compound:8997" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "149-30-4", "12640-90-3", "81605-65-4", "112242-83-8", "55199-93-4", "119170-41-1", "4464-58-8" ], "dbp:inchikey": "YXIWHUQXZSMYRE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "2benztazetol", "skos:broader": { "@id": "csc:CHEMONTID_0000311" }, "skos:prefLabel": { "@language": "nl", "@value": "2-benzothiazolethiol" }, "dbo:smiles": "C1=CC=C2C(=C1)N=C(S2)S", "dbo:formula": "C7H5NS2", "dbo:pubchem": { "@value": "8997", "@type": "xsd:int" } }, { "@id": "csc:SOUGWDPPRBKJEX-UHFFFAOYSA-N", "skos:notation": "zOaAd", "dbo:casNumber": [ "160171-18-6", "156052-68-5" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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)", "rdfs:seeAlso": { "@id": "compound:122087" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:iupacName": { "@language": "en", "@value": "3,5-dichloro-N-(1-chloro-3-methyl-2-oxopentan-3-yl)-4-methylbenzamide" }, "dbo:formula": "C14H16Cl3NO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "zoxamide" }, "dbo:smiles": "CCC(C)(C(=O)CCl)NC(=O)C1=CC(=C(C(=C1)Cl)C)Cl", "dbp:inchikey": "SOUGWDPPRBKJEX-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "122087", "@type": "xsd:int" } }, { "@id": "csc:AXISYYRBXTVTFY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "isopropylmyristaat" }, "dbp:inchikey": "AXISYYRBXTVTFY-UHFFFAOYSA-N", "skos:notation": "iC3ymrtt", "dbo:casNumber": [ "1405-98-7", "110-27-0" ], "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:smiles": "CCCCCCCCCCCCCC(=O)OC(C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C17H34O2", "dbo:pubchem": { "@value": "8042", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "propan-2-yl tetradecanoate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "rdfs:seeAlso": { "@id": "compound:8042" } }, { "@id": "csc:AFTSHZRGGNMLHC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C(C(F)(Cl)Cl)(F)F", "dbo:casNumber": "812-04-4", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "rdfs:seeAlso": { "@id": "compound:13132" }, "dbo:formula": "C2HCl2F3", "dbo:inchi": "InChI=1S/C2HCl2F3/c3-2(4,7)1(5)6/h1H", "dbo:iupacName": { "@language": "en", "@value": "1,1-Dichloro-1,2,2-trifluoroethane" }, "skos:prefLabel": { "@language": "nl", "@value": "1,1-dichloor-1,2,2-trifluorethaan" }, "dbo:pubchem": { "@value": "13132", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "AFTSHZRGGNMLHC-UHFFFAOYSA-N", "skos:notation": "HCFK123b" }, { "@id": "csc:PUDIUYLPXJFUGB-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "24562-03-6", "7440-10-0", "110123-50-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Pr", "skos:exactMatch": { "@id": "wise:CAS_7440-10-0" }, "dbo:iupacName": { "@language": "en", "@value": "praseodymium" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:formula": "Pr", "dbo:pubchem": { "@value": "23942", "@type": "xsd:int" }, "dbp:inchikey": "PUDIUYLPXJFUGB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23942" }, "dbo:smiles": "[Pr]", "dbo:inchi": "InChI=1S/Pr", "skos:prefLabel": { "@language": "nl", "@value": "praeseodyum" } }, { "@id": "csc:JYGXADMDTFJGBT-VWUMJDOOSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "5754", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5754" }, "dbo:casNumber": [ "8056-08-4", "80562-38-5", "50-23-7", "8063-42-1" ], "skos:prefLabel": { "@language": "nl", "@value": "hydrocortison" }, "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "skos:notation": "Hcortsn", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbo:formula": "C21H30O5", "dbo:smiles": "CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O", "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", "dbp:inchikey": "JYGXADMDTFJGBT-VWUMJDOOSA-N" }, { "@id": "csc:CXWXQJXEFPUFDZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "119-64-2", "68412-24-8" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4-tetrahydronaftaleen" }, "dbo:formula": "C10H12", "skos:broader": { "@id": "csc:CHEMONTID_0000048" }, "dbo:smiles": "C1CCC2=CC=CC=C2C1", "rdfs:seeAlso": { "@id": "compound:8404" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-Tetrahydronaphthalene" }, "dbp:inchikey": "CXWXQJXEFPUFDZ-UHFFFAOYSA-N", "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:pubchem": { "@value": "8404", "@type": "xsd:int" }, "skos:notation": "1234T4HNaf" }, { "@id": "csc:HJWLCRVIBGQPNF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H10", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "HJWLCRVIBGQPNF-UHFFFAOYSA-N", "dbo:casNumber": [ "300-57-2", "57807-91-7", "128961-80-8" ], "dbo:inchi": "InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2", "skos:notation": "2C3yeBen", "dbo:pubchem": { "@value": "9309", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:iupacName": { "@language": "en", "@value": "prop-2-enylbenzene" }, "skos:prefLabel": { "@language": "nl", "@value": "2-propenylbenzeen" }, "rdfs:seeAlso": { "@id": "compound:9309" }, "dbo:smiles": "C=CCC1=CC=CC=C1" }, { "@id": "csc:CMWTZPSULFXXJA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-(6-methoxynaphthalen-2-yl)propanoic acid" }, "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)", "skos:prefLabel": { "@language": "nl", "@value": "naproxen" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "dbo:smiles": "CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O", "dbo:pubchem": { "@value": "1302", "@type": "xsd:int" }, "dbo:casNumber": [ "23981-80-8", "22204-53-1", "26159-31-9" ], "skos:exactMatch": { "@id": "wise:CAS_22204-53-1" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "napxn", "dbp:inchikey": "CMWTZPSULFXXJA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:1302" } }, { "@id": "csc:XQUXKZZNEFRCAW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "64257-84-7", "39515-41-8" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "fenpratn", "dbo:smiles": "CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C", "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "skos:prefLabel": { "@language": "nl", "@value": "fenpropathrin" }, "dbo:formula": "C22H23NO3", "rdfs:seeAlso": { "@id": "compound:47326" }, "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": { "@language": "en", "@value": "[cyano-[3-(phenoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate" }, "dbo:pubchem": { "@value": "47326", "@type": "xsd:int" }, "dbp:inchikey": "XQUXKZZNEFRCAW-UHFFFAOYSA-N" }, { "@id": "csc:YWWVWXASSLXJHU-WAYWQWQTSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "5281119", "@type": "xsd:int" }, "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": { "@language": "en", "@value": "(Z)-Tetradec-9-enoic acid" }, "skos:notation": "myrslinzr", "dbo:casNumber": "544-64-9", "rdfs:seeAlso": { "@id": "compound:5281119" }, "skos:prefLabel": { "@language": "nl", "@value": "myristoleinezuur" }, "dbo:formula": "C14H26O2", "skos:broader": { "@id": "csc:CHEMONTID_0002949" }, "dbp:inchikey": "YWWVWXASSLXJHU-WAYWQWQTSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCC=CCCCCCCCC(=O)O" }, { "@id": "csc:QYIXCDOBOSTCEI-NWKZBHTNSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:221122" }, "skos:prefLabel": { "@language": "nl", "@value": "5-beta-cholestan-3-beta-ol" }, "skos:notation": "5acholet3bol", "dbp:inchikey": "QYIXCDOBOSTCEI-NWKZBHTNSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0001469" }, "dbo:casNumber": "360-68-9", "dbo:pubchem": { "@value": "221122", "@type": "xsd:int" } }, { "@id": "csc:VYZAMTAEIAYCRO-BJUDXGSMSA-N", "dbo:formula": "Cr", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "14392-02-0", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbp:inchikey": "VYZAMTAEIAYCRO-BJUDXGSMSA-N", "dbo:iupacName": { "@language": "en", "@value": "chromium-51" }, "dbo:smiles": "[Cr]", "skos:prefLabel": { "@language": "nl", "@value": "chroom 51" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cr/i1-1", "rdfs:seeAlso": { "@id": "compound:104786" }, "skos:notation": "Cr51", "dbo:pubchem": { "@value": "104786", "@type": "xsd:int" } }, { "@id": "csc:HHEFNVCDPLQQTP-UHFFFAOYSA-N", "skos:notation": "NH4ClO4", "dbo:casNumber": [ "53026-82-7", "13777-04-3", "87110-01-8", "19166-97-3", "222532-79-8", "7790-98-9", "28499-39-0" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:24639" }, "dbo:iupacName": { "@language": "en", "@value": "azanium perchlorate" }, "dbo:inchi": "InChI=1S/ClHO4.H3N/c2-1(3,4)5;/h(H,2,3,4,5);1H3", "dbo:pubchem": { "@value": "24639", "@type": "xsd:int" }, "dbo:smiles": "[NH4+].[O-]Cl(=O)(=O)=O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "ammoniumperchloraat" }, "dbo:formula": "ClH4NO4", "skos:broader": { "@id": "csc:CHEMONTID_0001065" }, "dbp:inchikey": "HHEFNVCDPLQQTP-UHFFFAOYSA-N" }, { "@id": "csc:SYDNSSSQVSOXTN-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)O)[N+](=O)[O-]", "dbo:casNumber": [ "12167-20-3", "68137-08-6", "119-33-5" ], "dbp:inchikey": "SYDNSSSQVSOXTN-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "2-nitro-p-cresol" }, "dbo:formula": "C7H7NO3", "dbo:inchi": "InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methyl-2-nitrophenol" }, "skos:broader": { "@id": "csc:CHEMONTID_0000141" }, "rdfs:seeAlso": { "@id": "compound:8391" }, "dbo:pubchem": { "@value": "8391", "@type": "xsd:int" }, "skos:notation": "2NO2pcsl" }, { "@id": "csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000285" }, "dbo:casNumber": [ "51218-45-2", "94449-58-8", "82535-90-8", "55762-76-0", "63150-68-5" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "4169", "@type": "xsd:int" }, "dbo:formula": "C15H22ClNO2", "skos:exactMatch": { "@id": "wise:CAS_51218-45-2" }, "skos:notation": "metlCl", "skos:prefLabel": { "@language": "nl", "@value": "metolachlor" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:smiles": "CCC1=CC=CC(=C1N(C(C)COC)C(=O)CCl)C", "skos:altLabel": { "@language": "nl", "@value": "metolachloor" }, "dbp:inchikey": "WVQBLGZPHOPPFO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:4169" } }, { "@id": "csc:PYZRQGJRPPTADH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)", "dbp:inchikey": "PYZRQGJRPPTADH-UHFFFAOYSA-N", "dbo:formula": "C9H7Cl2N5", "dbo:pubchem": { "@value": "3878", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine" }, "dbo:casNumber": "84057-84-1", "skos:prefLabel": { "@language": "nl", "@value": "lamotrigine" }, "rdfs:seeAlso": { "@id": "compound:3878" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)C2=C(N=C(N=N2)N)N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:notation": "lamtgne" }, { "@id": "csc:GKOZUEZYRPOHIO-IGMARMGPSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "[Ir]", "dbo:iupacName": { "@language": "en", "@value": "iridium-192" }, "dbo:casNumber": "14694-69-0", "rdfs:seeAlso": { "@id": "compound:66373" }, "dbo:inchi": "InChI=1S/Ir/i1+0", "dbp:inchikey": "GKOZUEZYRPOHIO-IGMARMGPSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:formula": "Ir", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Ir192", "dbo:pubchem": { "@value": "66373", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "iridium 192" } }, { "@id": "csc:UQMRAFJOBWOFNS-UHFFFAOYSA-N", "skos:notation": "24DC4yEsr", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C12H14Cl2O3", "dbo:smiles": "CCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl", "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", "rdfs:seeAlso": { "@id": "compound:7206" }, "dbp:inchikey": "UQMRAFJOBWOFNS-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "2,4-D butyl ester" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-d butyl ester" }, "dbo:iupacName": { "@language": "en", "@value": "butyl 2-(2,4-dichlorophenoxy)acetate" }, "dbo:casNumber": "94-80-4", "dbo:pubchem": { "@value": "7206", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000417" } }, { "@id": "csc:AUODDLQVRAJAJM-GQYOKNPUSA-N", "skos:prefLabel": { "@language": "nl", "@value": "clindamycine, waterstofchloride" }, "dbo:casNumber": "21462-39-5", "dbo:formula": "C18H34Cl2N2O5S", "rdfs:seeAlso": { "@id": "compound:441204" }, "dbp:inchikey": "AUODDLQVRAJAJM-GQYOKNPUSA-N", "dbo:smiles": "CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(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" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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:pubchem": { "@value": "441204", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002205" } }, { "@id": "csc:GSWAOPJLTADLTN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "stikstofoxiden (nox), uitgedrukt als no2" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "H3NO", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "stikstofoxiden (NOx), uitgedrukt als NO2" }, "rdfs:seeAlso": { "@id": "compound:160954" }, "skos:definition": { "@language": "nl", "@value": "stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als NO2(def VLAR II, D1: stikstofoxiden: de som van stikstofmonoxide en stikstofdioxide, uitgedrukt als stikstofdioxide (NO2))" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx'" }, { "@language": "nl", "@value": "VLAR II (D2) 'stikstofoxiden (NOx)'" }, { "@language": "nl", "@value": "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'" }, { "@language": "nl", "@value": "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''" }, { "@language": "nl", "@value": " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3. 'stikstofoxiden'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'" } ], "dbo:inchi": "InChI=1S/H3NO/c1-2/h1H3", "dbo:iupacName": { "@language": "en", "@value": "oxidoazanium" }, "skos:broader": { "@id": "csc:CHEMONTID_0000554" }, "dbo:casNumber": [ "11129-69-4", "11104-93-1" ], "dbo:smiles": "[NH3+][O-]", "dbo:pubchem": { "@value": "160954", "@type": "xsd:int" }, "dbp:inchikey": "GSWAOPJLTADLTN-UHFFFAOYSA-N" }, { "@id": "csc:RVMKCACFKFAJPS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "PFO4DA", "dbo:smiles": "C(=O)(C(OC(OC(OC(OC(F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "rdfs:seeAlso": { "@id": "compound:57358057" }, "dbo:casNumber": "39492-90-5", "dbo:iupacName": { "@language": "en", "@value": "2-[[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-difluoromethoxy]-2,2-difluoroacetic acid" }, "dbp:inchikey": "RVMKCACFKFAJPS-UHFFFAOYSA-N", "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:formula": "C6HF11O6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "57358057", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-3,5,7,9-tetraoxadecaanzuur" } }, { "@id": "csc:BQYJATMQXGBDHF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "difenoconazool" }, "dbo:smiles": "CC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)OC4=CC=C(C=C4)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C19H17Cl2N3O3", "dbo:pubchem": { "@value": "86173", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "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": { "@language": "en", "@value": "1-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" }, "rdfs:seeAlso": { "@id": "compound:86173" }, "skos:notation": "Dfncnzl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "BQYJATMQXGBDHF-UHFFFAOYSA-N", "dbo:casNumber": "119446-68-3" }, { "@id": "csc:ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "8076", "@type": "xsd:int" }, "dbo:casNumber": [ "110-80-5", "96231-36-6" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:smiles": "CCOCCO", "dbo:inchi": "InChI=1S/C4H10O2/c1-2-6-4-3-5/h5H,2-4H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbp:inchikey": "ZNQVEEAIQZEUHB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-Ethoxyethanol" }, "rdfs:seeAlso": { "@id": "compound:8076" }, "skos:notation": "2C2oxC2ol", "skos:prefLabel": { "@language": "nl", "@value": "2-ethoxyethanol" }, "dbo:formula": "C4H10O2" }, { "@id": "csc:WGYKZJWCGVVSQN-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Propan-1-amine" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "107-10-8", "68187-44-0", "42939-71-9", "68187-43-9", "68130-70-1", "68130-69-8", "68187-45-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3", "dbo:pubchem": { "@value": "7852", "@type": "xsd:int" }, "dbp:inchikey": "WGYKZJWCGVVSQN-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7852" }, "skos:prefLabel": { "@language": "nl", "@value": "1-aminopropaan" }, "dbo:smiles": "CCCN", "dbo:formula": "C3H9N", "skos:notation": "1AoC3a" }, { "@id": "csc:AXKZIDYFAMKWSA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "16DOxccC12a7", "rdfs:seeAlso": { "@id": "compound:13064" }, "dbo:formula": "C10H16O4", "dbo:smiles": "C1CCC(=O)OCCCCOC(=O)C1", "skos:prefLabel": { "@language": "nl", "@value": "1,6-dioxacyclododecaan-7,12-dion" }, "skos:broader": { "@id": "csc:CHEMONTID_0000147" }, "dbo:casNumber": "777-95-7", "dbo:iupacName": { "@language": "en", "@value": "1,6-DIOXACYCLODODECANE-7,12-DIONE" }, "dbo:pubchem": { "@value": "13064", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2", "dbp:inchikey": "AXKZIDYFAMKWSA-UHFFFAOYSA-N" }, { "@id": "csc:KVBKAPANDHPRDG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,2-dibroomtetrafluorethaan" }, "dbo:formula": "C2Br2F4", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:inchi": "InChI=1S/C2Br2F4/c3-1(5,6)2(4,7)8", "dbo:casNumber": [ "124-73-2", "76199-55-8" ], "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:iupacName": { "@language": "en", "@value": "1,2-Dibromo-1,1,2,2-tetrafluoroethane" }, "dbo:pubchem": { "@value": "31301", "@type": "xsd:int" }, "dbo:smiles": "C(C(F)(F)Br)(F)(F)Br", "skos:notation": "halon2402", "dbp:inchikey": "KVBKAPANDHPRDG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:31301" } }, { "@id": "csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbp:inchikey": "NPYPAHLBTDXSSS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "potassium(+1) cation" }, "skos:exactMatch": { "@id": "wise:CAS_7440-09-7" }, "dbo:smiles": "[K+]", "skos:notation": "K+", "skos:altLabel": { "@language": "nl", "@value": "kalium" }, "skos:prefLabel": { "@language": "nl", "@value": "kalium, eenwaardig" }, "dbo:casNumber": [ "24203-36-9", "7440-09-7" ], "dbo:inchi": "InChI=1S/K/q+1", "rdfs:seeAlso": { "@id": "compound:813" }, "dbo:formula": "K+", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "813", "@type": "xsd:int" } }, { "@id": "csc:DIAQQISRBBDJIM-DRSCAGMXSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "microsystine-LA" }, "dbo:pubchem": { "@value": "6437382", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002010" }, "skos:notation": "MC-LA", "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", "dbo:casNumber": "96180-79-9", "rdfs:seeAlso": { "@id": "compound:6437382" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(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" }, "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:formula": "C46H67N7O12", "dbp:inchikey": "DIAQQISRBBDJIM-DRSCAGMXSA-N" }, { "@id": "csc:HGLDOAKPQXAFKI-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "CALIFORNIUM" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:prefLabel": { "@language": "nl", "@value": "californium" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "23997", "@type": "xsd:int" }, "skos:notation": "Cf", "dbo:formula": "Cf", "dbo:inchi": "InChI=1S/Cf", "rdfs:seeAlso": { "@id": "compound:23997" }, "dbo:casNumber": [ "22541-43-1", "7440-71-3" ], "dbp:inchikey": "HGLDOAKPQXAFKI-UHFFFAOYSA-N", "dbo:smiles": "[Cf]" }, { "@id": "csc:ZCTNDJSCLPJCRA-UHFFFAOYSA-N", "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:casNumber": "67517-48-0", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:49923" }, "skos:notation": "PCDF89", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,8-pentachloordibenzofuraan" }, "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "dbp:inchikey": "ZCTNDJSCLPJCRA-UHFFFAOYSA-N", "dbo:smiles": "C1=CC2=C(C=C1Cl)C3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,8-PENTACHLORODIBENZOFURAN" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H3Cl5O", "dbo:pubchem": { "@value": "49923", "@type": "xsd:int" } }, { "@id": "csc:YVBGRQLITPHVOP-UHFFFAOYSA-L", "skos:notation": "NaTplPO4", "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", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "disodium [hydroxy-(hydroxy-oxidophosphoryl)oxyphosphoryl] hydrogen phosphate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "13573-18-7", "skos:broader": { "@id": "csc:CHEMONTID_0000656" }, "dbo:smiles": "OP(=O)([O-])OP(=O)(O)OP(=O)(O)[O-].[Na+].[Na+]", "rdfs:seeAlso": { "@id": "compound:26118" }, "dbo:formula": "H3Na2O10P3", "dbo:pubchem": { "@value": "26118", "@type": "xsd:int" }, "dbp:inchikey": "YVBGRQLITPHVOP-UHFFFAOYSA-L", "skos:prefLabel": { "@language": "nl", "@value": "natriumtripolyfosfaat" } }, { "@id": "csc:VHYCDWMUTMEGQY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VHYCDWMUTMEGQY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)O", "dbo:pubchem": { "@value": "2405", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "bisoprolol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002542" }, "dbo:formula": "C18H31NO4", "dbo:iupacName": { "@language": "en", "@value": "1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol" }, "skos:notation": "bispll", "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:casNumber": "66722-44-9", "rdfs:seeAlso": { "@id": "compound:2405" } }, { "@id": "csc:CVKMFSAVYPAZTQ-ZCFIWIBFSA-M", "rdfs:seeAlso": { "@id": "compound:6999857" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "CVKMFSAVYPAZTQ-ZCFIWIBFSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCC(C)C(=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "(2R)-2-methylhexanoate" }, "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:casNumber": "4536-23-6", "dbo:formula": "C7H13O2-", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "skos:notation": "2C1yC6azr", "dbo:pubchem": { "@value": "6999857", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methylhexaanzuur" } }, { "@id": "csc:LQOLIRLGBULYKD-JKIFEVAISA-N", "dbo:casNumber": [ "8056-79-9", "50763-55-8", "61-72-3" ], "skos:notation": "cloxclne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004830" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6098" }, "skos:prefLabel": { "@language": "nl", "@value": "cloxacilline" }, "dbo:smiles": "CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O", "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", "dbp:inchikey": "LQOLIRLGBULYKD-JKIFEVAISA-N", "dbo:formula": "C19H18ClN3O5S", "dbo:pubchem": { "@value": "6098", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "(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" } }, { "@id": "csc:RANCECPPZPIPNO-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "RANCECPPZPIPNO-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1Cl)O)Cl", "dbo:formula": "C6H4Cl2O", "rdfs:seeAlso": { "@id": "compound:66" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "2,5-dichloorfenol" }, "dbo:casNumber": "583-78-8", "dbo:iupacName": { "@language": "en", "@value": "2,5-dichlorophenol" }, "skos:notation": "25DClFol", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:pubchem": { "@value": "66", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H" }, { "@id": "csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N", "dbo:casNumber": [ "27988-86-9", "26545-73-3", "26602-95-9", "96-23-1", "148584-48-9" ], "dbo:inchi": "InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2", "rdfs:seeAlso": { "@id": "compound:7289" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "dbo:formula": "C3H6Cl2O", "skos:notation": [ "13DCl2C3ol", "DClC3ol" ], "skos:prefLabel": { "@language": "nl", "@value": "dichloorpropanol" }, "dbo:pubchem": { "@value": "7289", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "1,3-dichloor-2-propanol" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloropropan-2-ol" }, "dbo:smiles": "C(C(CCl)O)Cl", "skos:exactMatch": { "@id": "wise:CAS_96-23-1" }, "dbp:inchikey": "DEWLEGDTCGBNGU-UHFFFAOYSA-N" }, { "@id": "csc:RDJGLLICXDHJDY-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[3-(phenoxy)phenyl]propanoic acid" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "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)", "skos:prefLabel": { "@language": "nl", "@value": "fenoprofen" }, "dbo:casNumber": [ "29679-58-1", "31879-05-7" ], "rdfs:seeAlso": { "@id": "compound:3342" }, "dbo:formula": "C15H14O3", "dbo:pubchem": { "@value": "3342", "@type": "xsd:int" }, "dbo:smiles": "CC(C1=CC(=CC=C1)OC2=CC=CC=C2)C(=O)O", "dbp:inchikey": "RDJGLLICXDHJDY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "skos:notation": "fenpfn", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:BTFQKIATRPGRBS-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC=CC=C1C=O", "dbo:formula": "C8H8O", "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-benzaldehyde" }, "rdfs:seeAlso": { "@id": "compound:10722" }, "dbo:casNumber": "529-20-4", "skos:notation": "2C1yBenAh", "dbo:iupacName": { "@language": "en", "@value": "2-Methylbenzaldehyde" }, "dbp:inchikey": "BTFQKIATRPGRBS-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10722", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000321" } }, { "@id": "csc:XLYOFNOQVPJJNP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:962" }, "skos:notation": "O18-H2O", "skos:prefLabel": { "@language": "nl", "@value": "zuurstof18 water" }, "dbo:casNumber": [ "558440-22-5", "13670-17-2", "14314-42-2", "7732-18-5", "17778-80-2" ], "dbo:formula": "H2O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "dbo:pubchem": { "@value": "962", "@type": "xsd:int" }, "dbo:smiles": "O", "dbp:inchikey": "XLYOFNOQVPJJNP-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/H2O/h1H2", "dbo:iupacName": { "@language": "en", "@value": "oxidane" } }, { "@id": "csc:QTXVAVXCBMYBJW-UHFFFAOYSA-N", "dbo:casNumber": [ "5543-57-7", "5543-56-6", "56573-89-8", "81-81-2" ], "skos:notation": "warfrn", "dbo:formula": "C19H16O4", "rdfs:seeAlso": { "@id": "compound:6691" }, "skos:broader": { "@id": "csc:CHEMONTID_0001633" }, "skos:prefLabel": { "@language": "nl", "@value": "warfarin" }, "dbo:smiles": "CC(=O)CC(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-4-one" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "QTXVAVXCBMYBJW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6691", "@type": "xsd:int" }, "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" }, { "@id": "csc:TVFDJXOCXUVLDH-AKLPVKDBSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "cesium 136" }, "dbo:smiles": "[Cs]", "dbo:formula": "Cs", "skos:notation": "Cs136", "dbo:inchi": "InChI=1S/Cs/i1+3", "dbp:inchikey": "TVFDJXOCXUVLDH-AKLPVKDBSA-N", "dbo:pubchem": { "@value": "6335316", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbo:casNumber": "14234-29-8", "rdfs:seeAlso": { "@id": "compound:6335316" }, "dbo:iupacName": { "@language": "en", "@value": "cesium-136" } }, { "@id": "csc:VNWKTOKETHGBQD-NJFSPNSNSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "14762-75-5", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "C14", "skos:prefLabel": { "@language": "nl", "@value": "koolstof 14" }, "dbp:inchikey": "VNWKTOKETHGBQD-NJFSPNSNSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "dbo:formula": "CH4", "dbo:pubchem": { "@value": "26873", "@type": "xsd:int" }, "dbo:smiles": "C", "dbo:iupacName": { "@language": "en", "@value": "Carbane-14" }, "dbo:inchi": "InChI=1S/CH4/h1H4/i1+2", "rdfs:seeAlso": { "@id": "compound:26873" } }, { "@id": "csc:KJZYNXUDTRRSPN-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[Ho]", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "110444-52-5", "24490-89-9", "7440-60-0" ], "rdfs:seeAlso": { "@id": "compound:23988" }, "dbo:iupacName": { "@language": "en", "@value": "HOLMIUM" }, "dbp:inchikey": "KJZYNXUDTRRSPN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Ho", "dbo:formula": "Ho", "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:pubchem": { "@value": "23988", "@type": "xsd:int" }, "skos:notation": "Ho", "skos:prefLabel": { "@language": "nl", "@value": "holmium" } }, { "@id": "csc:WZCQRUWWHSTZEM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2", "dbo:iupacName": { "@language": "en", "@value": "benzene-1,3-diamine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "dbo:casNumber": "108-45-2", "dbo:formula": "C6H8N2", "dbo:pubchem": { "@value": "7935", "@type": "xsd:int" }, "skos:notation": "13DAoBen", "dbo:smiles": "C1=CC(=CC(=C1)N)N", "skos:prefLabel": { "@language": "nl", "@value": "1,3-diaminobenzeen" }, "dbp:inchikey": "WZCQRUWWHSTZEM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7935" } }, { "@id": "csc:YZBLFMPOMVTDJY-BFPKLJSTSA-N", "rdfs:seeAlso": { "@id": "compound:9571036" }, "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", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "9571036", "@type": "xsd:int" }, "dbo:formula": "C37H53NO8", "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", "dbo:casNumber": [ "113507-06-5", "119719-24-3" ], "dbp:inchikey": "YZBLFMPOMVTDJY-BFPKLJSTSA-N", "skos:notation": "moxdtn", "dbo:iupacName": { "@language": "en", "@value": "(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" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "moxidectin" }, "skos:broader": { "@id": "csc:CHEMONTID_0002902" } }, { "@id": "csc:DYSXLQBUUOPLBB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C7H6N2O4", "dbo:pubchem": { "@value": "11761", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]", "skos:broader": { "@id": "csc:CHEMONTID_0003969" }, "dbo:inchi": "InChI=1S/C7H6N2O4/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-4H,1H3", "skos:prefLabel": { "@language": "nl", "@value": "2,3-dinitrotolueen" }, "dbo:iupacName": { "@language": "en", "@value": "1-Methyl-2,3-dinitrobenzene" }, "dbo:casNumber": "602-01-7", "dbp:inchikey": "DYSXLQBUUOPLBB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11761" }, "skos:notation": "23DNO2Tol", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N", "dbp:inchikey": "YWTYJOPNNQFBPC-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004667" }, "dbo:iupacName": { "@language": "en", "@value": "N-[1-[(6-chloropyridin-3-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide" }, "dbo:pubchem": { "@value": "86418", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:86418" }, "skos:prefLabel": { "@language": "nl", "@value": "imidacloprid" }, "skos:exactMatch": { "@id": "wise:CAS_138261-41-3" }, "dbo:smiles": "C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(C=C2)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "138261-41-3", "105827-78-9" ], "skos:notation": "imdcpd", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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)" }, { "@id": "csc:WABPQHHGFIMREM-RNFDNDRNSA-N", "skos:prefLabel": { "@language": "nl", "@value": "lood 211" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/Pb/i1+4", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:smiles": "[Pb]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6337094", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6337094" }, "dbo:iupacName": { "@language": "en", "@value": "lead-211" }, "dbp:inchikey": "WABPQHHGFIMREM-RNFDNDRNSA-N", "skos:notation": "Pb211", "dbo:casNumber": "15816-77-0", "dbo:formula": "Pb" }, { "@id": "csc:UYAHIZSMUZPPFV-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "ERBIUM" }, "dbo:formula": "Er", "dbo:casNumber": [ "110424-79-8", "7440-52-0" ], "dbp:inchikey": "UYAHIZSMUZPPFV-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:inchi": "InChI=1S/Er", "skos:prefLabel": { "@language": "nl", "@value": "erbium" }, "rdfs:seeAlso": { "@id": "compound:23980" }, "dbo:smiles": "[Er]", "dbo:pubchem": { "@value": "23980", "@type": "xsd:int" }, "skos:notation": "Er" }, { "@id": "csc:GKLVYJBZJHMRIY-YPZZEJLDSA-N", "skos:notation": "Tc96", "dbp:inchikey": "GKLVYJBZJHMRIY-YPZZEJLDSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "technetium-96" }, "dbo:inchi": "InChI=1S/Tc/i1-2", "dbo:pubchem": { "@value": "167171", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "technetium 96" }, "dbo:formula": "Tc", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:smiles": "[Tc]", "dbo:casNumber": "14808-44-7", "rdfs:seeAlso": { "@id": "compound:167171" } }, { "@id": "csc:SWFNPENEBHAHEB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7265", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-Amino-4-chlorophenol" }, "dbo:formula": "C6H6ClNO", "dbo:inchi": "InChI=1S/C6H6ClNO/c7-4-1-2-6(9)5(8)3-4/h1-3,9H,8H2", "skos:notation": "2Ao4ClFol", "dbo:smiles": "C1=CC(=C(C=C1Cl)N)O", "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "skos:prefLabel": { "@language": "nl", "@value": "2-amino-4-chloorfenol" }, "dbo:casNumber": "95-85-2", "skos:exactMatch": { "@id": "wise:CAS_95-85-2" }, "rdfs:seeAlso": { "@id": "compound:7265" }, "dbp:inchikey": "SWFNPENEBHAHEB-UHFFFAOYSA-N" }, { "@id": "csc:BTFJIXJJCSYFAL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1-eicosanol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "Icosan-1-ol" }, "dbo:casNumber": [ "629-96-9", "28679-05-2" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCCCCCCCCCCCCCO", "dbo:pubchem": { "@value": "12404", "@type": "xsd:int" }, "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", "rdfs:seeAlso": { "@id": "compound:12404" }, "dbp:inchikey": "BTFJIXJJCSYFAL-UHFFFAOYSA-N", "dbo:formula": "C20H42O", "skos:broader": { "@id": "csc:CHEMONTID_0002951" }, "skos:notation": "1C20ol" }, { "@id": "csc:LGPPATCNSOSOQH-UHFFFAOYSA-N", "dbp:inchikey": "LGPPATCNSOSOQH-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "hexafluor-1,3-butadieen" }, "dbo:formula": "C4F6", "skos:notation": "HxF13btDen", "dbo:smiles": "C(=C(F)F)(C(=C(F)F)F)F", "dbo:iupacName": { "@language": "en", "@value": "1,1,2,3,4,4-Hexafluorobuta-1,3-diene" }, "skos:broader": { "@id": "csc:CHEMONTID_0002861" }, "dbo:casNumber": "685-63-2", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "69636", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:69636" }, "dbo:inchi": "InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10" }, { "@id": "csc:KXKVLQRXCPHEJC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3", "dbo:smiles": "CC(=O)OC", "dbp:inchikey": "KXKVLQRXCPHEJC-UHFFFAOYSA-N", "dbo:casNumber": "79-20-9", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "skos:broader": { "@id": "csc:CHEMONTID_0003416" }, "dbo:pubchem": { "@value": "6584", "@type": "xsd:int" }, "dbo:formula": "C3H6O2", "rdfs:seeAlso": { "@id": "compound:6584" }, "dbo:iupacName": { "@language": "en", "@value": "METHYL ACETATE" }, "skos:prefLabel": { "@language": "nl", "@value": "methylacetaat" }, "skos:notation": "C1yactt" }, { "@id": "csc:RMMXTBMQSGEXHJ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6009", "@type": "xsd:int" }, "skos:notation": "Aofnzn", "dbo:formula": "C13H17N3O", "dbo:smiles": "CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C", "dbo:casNumber": [ "58-15-1", "144574-10-7" ], "dbp:inchikey": "RMMXTBMQSGEXHJ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:6009" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "aminofenazon" }, "skos:broader": { "@id": "csc:CHEMONTID_0002019" }, "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": { "@language": "en", "@value": "4-dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one" } }, { "@id": "csc:CYRMSUTZVYGINF-UHFFFAOYSA-N", "dbo:smiles": "C(F)(Cl)(Cl)Cl", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/CCl3F/c2-1(3,4)5", "dbo:casNumber": [ "79620-41-0", "83589-40-6", "91315-61-6", "62185-70-0", "75-69-4" ], "dbo:pubchem": { "@value": "6389", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004521" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_75-69-4" }, "skos:notation": "CFK11", "dbp:inchikey": "CYRMSUTZVYGINF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6389" }, "skos:altLabel": { "@language": "nl", "@value": "trichloorfluormethaan " }, "dbo:formula": "CCl3F", "skos:prefLabel": { "@language": "nl", "@value": "trichloorfluormethaan" }, "dbo:iupacName": { "@language": "en", "@value": "trichloro-fluoromethane" } }, { "@id": "csc:SLCGUGMPSUYJAY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "31068", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:31068" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "benzyppC2y", "dbo:casNumber": [ "20453-96-7", "38561-59-0", "22212-55-1", "33878-50-1" ], "dbo:iupacName": { "@language": "en", "@value": "ethyl 2-[benzoyl-(3,4-dichlorophenyl)amino]propanoate" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "benzoylprop-ethyl" }, "skos:broader": { "@id": "csc:CHEMONTID_0004713" }, "dbp:inchikey": "SLCGUGMPSUYJAY-UHFFFAOYSA-N", "dbo:formula": "C18H17Cl2NO3", "dbo:smiles": "CCOC(=O)C(C)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2" }, { "@id": "csc:QGMRQYFBGABWDR-UHFFFAOYSA-M", "dbo:formula": "C11H17N2NaO3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "pentbbtNa", "dbo:casNumber": [ "8023-11-8", "8050-99-5", "23714-57-0", "57-33-0", "10579-81-4" ], "dbp:inchikey": "QGMRQYFBGABWDR-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:5982" }, "dbo:smiles": "CCCC(C)C1(C(=O)NC(=NC1=O)[O-])CC.[Na+]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "5982", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "pentobarbital-natrium" }, "dbo:iupacName": { "@language": "en", "@value": "['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']" }, "skos:broader": { "@id": "csc:CHEMONTID_0000292" }, "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" }, { "@id": "csc:UGNWTBMOAKPKBL-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl", "dbo:casNumber": [ "142655-99-0", "118-75-2" ], "dbo:iupacName": { "@language": "en", "@value": "2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione" }, "rdfs:seeAlso": { "@id": "compound:8371" }, "dbo:inchi": "InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11", "skos:broader": { "@id": "csc:CHEMONTID_0002494" }, "dbo:pubchem": { "@value": "8371", "@type": "xsd:int" }, "dbo:formula": "C6Cl4O2", "skos:notation": "chloranl", "dbp:inchikey": "UGNWTBMOAKPKBL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "chloranil" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GADNZGQWPNTMCH-NTMALXAHSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "6386353", "@type": "xsd:int" }, "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:formula": "C10H18O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6386353" }, "skos:notation": "2C3y2C7eal", "skos:prefLabel": { "@language": "nl", "@value": "2-propyl-2-heptenal" }, "dbo:casNumber": "34880-43-8", "skos:broader": { "@id": "csc:CHEMONTID_0002229" }, "dbo:iupacName": { "@language": "en", "@value": "(Z)-2-propylhept-2-enal" }, "dbp:inchikey": "GADNZGQWPNTMCH-NTMALXAHSA-N", "dbo:smiles": "CCCCC=C(CCC)C=O" }, { "@id": "csc:ZFDIRQKJPRINOQ-HYXAFXHYSA-N", "rdfs:seeAlso": { "@id": "compound:5354263" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl (Z)-but-2-enoate" }, "dbo:inchi": "InChI=1S/C6H10O2/c1-3-5-6(7)8-4-2/h3,5H,4H2,1-2H3/b5-3-", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCOC(=O)C=CC", "dbo:casNumber": "10544-63-5", "dbo:formula": "C6H10O2", "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "dbp:inchikey": "ZFDIRQKJPRINOQ-HYXAFXHYSA-N", "dbo:pubchem": { "@value": "5354263", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "C2yctnt", "skos:prefLabel": { "@language": "nl", "@value": "ethylcrotonaat" } }, { "@id": "csc:XSXIVVZCUAHUJO-HZJYTTRNSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cis-11,14-eicosadieenzuur" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "(11Z,14Z)-icosa-11,14-dienoic acid" }, "dbo:formula": "C20H36O2", "skos:broader": { "@id": "csc:CHEMONTID_0002949" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XSXIVVZCUAHUJO-HZJYTTRNSA-N", "skos:notation": "c1114C20aDzr", "rdfs:seeAlso": { "@id": "compound:6439848" }, "dbo:smiles": "CCCCCC=CCC=CCCCCCCCCCC(=O)O", "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:pubchem": { "@value": "6439848", "@type": "xsd:int" }, "dbo:casNumber": "5598-38-9" }, { "@id": "csc:ZMRUPTIKESYGQW-UHFFFAOYSA-N", "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O.Cl", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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:casNumber": "318-98-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ZMRUPTIKESYGQW-UHFFFAOYSA-N", "skos:notation": "propnllHCL", "dbo:formula": "C16H22ClNO2", "skos:altLabel": { "@language": "nl", "@value": "propanolol, waterstofchloride" }, "dbo:iupacName": { "@language": "en", "@value": "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol hydrochloride" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:prefLabel": { "@language": "nl", "@value": "propranolol-hydrochloride" }, "rdfs:seeAlso": { "@id": "compound:62882" }, "dbo:pubchem": { "@value": "62882", "@type": "xsd:int" } }, { "@id": "csc:JMMWKPVZQRWMSS-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "propan-2-yl acetate" }, "rdfs:seeAlso": { "@id": "compound:7915" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "108-21-4", "skos:prefLabel": { "@language": "nl", "@value": "isopropylacetaat" }, "dbo:pubchem": { "@value": "7915", "@type": "xsd:int" }, "dbo:formula": "C5H10O2", "dbo:smiles": "CC(C)OC(=O)C", "dbp:inchikey": "JMMWKPVZQRWMSS-UHFFFAOYSA-N", "skos:notation": "iC3yactt", "dbo:inchi": "InChI=1S/C5H10O2/c1-4(2)7-5(3)6/h4H,1-3H3", "skos:broader": { "@id": "csc:CHEMONTID_0001238" } }, { "@id": "csc:OSUHJPCHFDQAIT-GFCCVEGCSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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", "skos:notation": "quizlfPC2y", "rdfs:seeAlso": { "@id": "compound:1617113" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "dbo:pubchem": { "@value": "1617113", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "quizalofop-P-ethyl" }, "dbo:casNumber": "100646-51-3", "skos:prefLabel": { "@language": "nl", "@value": "quizalofop-p-ethyl" }, "dbo:smiles": "CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl", "dbo:formula": "C19H17ClN2O4", "dbo:iupacName": { "@language": "en", "@value": "ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate" }, "dbp:inchikey": "OSUHJPCHFDQAIT-GFCCVEGCSA-N" }, { "@id": "csc:BZLVMXJERCGZMT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:15413" }, "skos:prefLabel": { "@language": "nl", "@value": "methyl-tertiair-butylether" }, "dbp:inchikey": "BZLVMXJERCGZMT-UHFFFAOYSA-N", "dbo:casNumber": "1634-04-4", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)(C)OC", "dbo:iupacName": { "@language": "en", "@value": "2-Methoxy-2-methylpropane" }, "skos:exactMatch": { "@id": "wise:CAS_1634-04-4" }, "skos:notation": "C1yttC4yEtr", "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbo:pubchem": { "@value": "15413", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3", "skos:altLabel": { "@language": "nl", "@value": "methyl-tert.butyl-ether (mtbe)" }, "dbo:formula": "C5H12O" }, { "@id": "csc:UHOVQNZJYSORNB-UHFFFAOYSA-N", "dbo:casNumber": [ "54682-86-9", "71-43-2", "68956-52-5", "26181-88-4", "27271-55-2", "174973-66-1" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "BENZENE" }, "dbp:inchikey": "UHOVQNZJYSORNB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:241" }, "dbo:pubchem": { "@value": "241", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_71-43-2" }, "skos:prefLabel": { "@language": "nl", "@value": "benzeen" }, "dbo:smiles": "C1=CC=CC=C1", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) " }, { "@language": "nl", "@value": "VLAR II (D2) diverse art." }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3" } ], "dbo:inchi": "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H", "dbo:formula": "C6H6", "skos:notation": "Ben" }, { "@id": "csc:GWXLDORMOJMVQZ-BJUDXGSMSA-N", "dbo:pubchem": { "@value": "166969", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "cerium 139" }, "dbo:inchi": "InChI=1S/Ce/i1-1", "dbp:inchikey": "GWXLDORMOJMVQZ-BJUDXGSMSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:formula": "Ce", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "Ce139", "dbo:casNumber": "13982-30-4", "rdfs:seeAlso": { "@id": "compound:166969" }, "dbo:iupacName": { "@language": "en", "@value": "cerium-139" }, "dbo:smiles": "[Ce]" }, { "@id": "csc:WURBVZBTWMNKQT-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "39385", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbo:casNumber": [ "43121-43-3", "93779-51-2" ], "dbo:formula": "C14H16ClN3O2", "skos:prefLabel": { "@language": "nl", "@value": "triadimefon" }, "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", "skos:notation": "Tadmfn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "WURBVZBTWMNKQT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:39385" }, "dbo:iupacName": { "@language": "en", "@value": "1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one" }, "dbo:smiles": "CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl" }, { "@id": "csc:XTEGVFVZDVNBPF-UHFFFAOYSA-N", "dbo:casNumber": [ "46874-44-6", "81-04-9" ], "dbo:pubchem": { "@value": "6666", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O", "dbo:formula": "C10H8O6S2", "dbo:iupacName": { "@language": "en", "@value": "naphthalene-1,5-disulfonic acid" }, "skos:notation": "15NafDsfzr", "skos:prefLabel": { "@language": "nl", "@value": "1,5-naftaleendisulfonzuur" }, "rdfs:seeAlso": { "@id": "compound:6666" }, "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)", "skos:broader": { "@id": "csc:CHEMONTID_0003600" }, "dbp:inchikey": "XTEGVFVZDVNBPF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:KHQDWCKZXLWDNM-KPKJPENVSA-N", "dbo:formula": "C14H24O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "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:casNumber": "28219-61-6", "dbp:inchikey": "KHQDWCKZXLWDNM-KPKJPENVSA-N", "skos:notation": "ETCB", "skos:broader": { "@id": "csc:CHEMONTID_0001563" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6438196", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "sandacanol" }, "dbo:iupacName": { "@language": "en", "@value": "(E)-2-ethyl-4-(2,2,3-trimethyl-1-cyclopent-3-enyl)but-2-en-1-ol" }, "dbo:smiles": "CCC(=CCC1CC=C(C1(C)C)C)CO", "rdfs:seeAlso": { "@id": "compound:6438196" } }, { "@id": "csc:PORWMNRCUJJQNO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Te", "dbo:smiles": "[Te]", "dbo:iupacName": { "@language": "en", "@value": "TELLURIUM" }, "rdfs:seeAlso": { "@id": "compound:6327182" }, "dbp:inchikey": "PORWMNRCUJJQNO-UHFFFAOYSA-N", "skos:notation": "Te", "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "dbo:casNumber": [ "13494-80-9", "137322-20-4" ], "dbo:formula": "Te", "skos:prefLabel": { "@language": "nl", "@value": "tellurium" }, "dbo:pubchem": { "@value": "6327182", "@type": "xsd:int" } }, { "@id": "csc:ZSLUVFAKFWKJRC-AHCXROLUSA-N", "dbo:inchi": "InChI=1S/Th/i1-4", "dbo:casNumber": "14274-82-9", "dbo:smiles": "[Th]", "dbo:iupacName": { "@language": "en", "@value": "thorium-228" }, "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:prefLabel": { "@language": "nl", "@value": "thorium 228" }, "dbp:inchikey": "ZSLUVFAKFWKJRC-AHCXROLUSA-N", "dbo:formula": "Th", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "61724", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:61724" }, "skos:notation": "Th228" }, { "@id": "csc:GNPUIRFDBYALRI-UHFFFAOYSA-N", "dbo:formula": "C13H11N", "skos:prefLabel": { "@language": "nl", "@value": "4-methylcarbazol" }, "dbp:inchikey": "GNPUIRFDBYALRI-UHFFFAOYSA-N", "skos:notation": "4C1ycarbzl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "3770-48-7", "skos:broader": { "@id": "csc:CHEMONTID_0000210" }, "dbo:smiles": "CC1=C2C3=CC=CC=C3NC2=CC=C1", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "19591", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:19591" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methyl-9H-carbazole" } }, { "@id": "csc:GKOZUEZYRPOHIO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23924" }, "dbo:formula": "Ir", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "GKOZUEZYRPOHIO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "23924", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Ir", "dbo:smiles": "[Ir]", "dbo:iupacName": { "@language": "en", "@value": "IRIDIUM" }, "dbo:casNumber": [ "22542-08-1", "7439-88-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:prefLabel": { "@language": "nl", "@value": "iridium" }, "skos:notation": "Ir" }, { "@id": "csc:CNQCVBJFEGMYDW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/Lr", "dbo:formula": "Lr", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:notation": "Lr", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "31192", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "LAWRENCIUM" }, "dbo:casNumber": "22537-19-5", "dbo:smiles": "[Lr]", "rdfs:seeAlso": { "@id": "compound:31192" }, "dbp:inchikey": "CNQCVBJFEGMYDW-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "lawrencium" } }, { "@id": "csc:BDCFWIDZNLCTMF-UHFFFAOYSA-N", "dbo:formula": "C9H12O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3", "dbo:smiles": "CC(C)(C1=CC=CC=C1)O", "dbo:casNumber": "617-94-7", "dbo:iupacName": { "@language": "en", "@value": "2-Phenylpropan-2-ol" }, "skos:notation": "2FyiC3ol", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "12053", "@type": "xsd:int" }, "dbp:inchikey": "BDCFWIDZNLCTMF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:12053" }, "skos:prefLabel": { "@language": "nl", "@value": "2-fenylisopropanol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002811" } }, { "@id": "csc:HAYXDMNJJFVXCI-UHFFFAOYSA-N", "dbp:inchikey": "HAYXDMNJJFVXCI-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "104737", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "arsenic(+5) cation" }, "skos:prefLabel": { "@language": "nl", "@value": "arseen (vijfwaardig)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/As/q+5", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "[As+5]", "rdfs:seeAlso": { "@id": "compound:104737" }, "dbo:formula": "As+5", "skos:notation": "AsV", "dbo:casNumber": "17428-41-0" }, { "@id": "csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "(4-chloor-2methylfenoxy)azijnzuur" }, { "@language": "nl", "@value": "mcpa" }, { "@language": "nl", "@value": "2-methyl-4-chloorfenoxyazijnzuur" } ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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)", "skos:notation": "MCPA", "rdfs:seeAlso": { "@id": "compound:7204" }, "dbo:iupacName": { "@language": "en", "@value": "2-(4-chloro-2-methylphenoxy)acetic acid" }, "dbp:inchikey": "WHKUVVPPKQRRBV-UHFFFAOYSA-N", "dbo:casNumber": [ "11111-14-1", "11111-13-0", "50926-55-1", "94-74-6" ], "skos:prefLabel": { "@language": "nl", "@value": "(2-methyl-4-chloorfenoxy)azijnzuur (mcpa)" }, "skos:exactMatch": { "@id": "wise:CAS_94-74-6" }, "skos:broader": { "@id": "csc:CHEMONTID_0004525" }, "dbo:pubchem": { "@value": "7204", "@type": "xsd:int" }, "dbo:formula": "C9H9ClO3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OCC(=O)O" }, { "@id": "csc:MFSWTRQUCLNFOM-UHFFFAOYSA-N", "dbo:formula": "C16H13ClF3NO4", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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:pubchem": { "@value": "50896", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:50896" }, "dbo:smiles": "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl", "dbo:casNumber": [ "69806-40-2", "114180-25-5", "86510-80-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "skos:notation": "halOxfC1y", "dbp:inchikey": "MFSWTRQUCLNFOM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop-methyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "methyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" } }, { "@id": "csc:DKGAVHZHDRPRBM-UHFFFAOYSA-N", "dbo:formula": "C4H10O", "dbo:casNumber": "75-65-0", "dbp:inchikey": "DKGAVHZHDRPRBM-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "tertiair-butanol" }, "dbo:pubchem": { "@value": "6386", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001670" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:6386" }, "skos:notation": "ttC4ol", "dbo:inchi": "InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "t-butanol" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'alkylalcohol'" }, "dbo:iupacName": { "@language": "en", "@value": "2-Methylpropan-2-ol" }, "dbo:smiles": "CC(C)(C)O" }, { "@id": "csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-4-nitrobenzeen" }, "dbo:inchi": "InChI=1S/C6H4ClNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H", "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-4-nitrobenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:7474" }, "dbp:inchikey": "CZGCEKJOLUNIFY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1=CC(=CC=C1[N+](=O)[O-])Cl", "skos:notation": "1Cl4NO2Ben", "dbo:casNumber": "100-00-5", "dbo:formula": "C6H4ClNO2", "dbo:pubchem": { "@value": "7474", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_100-00-5" } }, { "@id": "csc:CYRHBNRLQMLULE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "45472", "@type": "xsd:int" }, "dbp:inchikey": "CYRHBNRLQMLULE-UHFFFAOYSA-N", "dbo:smiles": "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br", "dbo:formula": "C12HBr9O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "64589-00-0", "68928-79-0", "63936-56-1", "66169-95-7", "139749-52-3" ], "rdfs:seeAlso": { "@id": "compound:45472" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-(2,3,4,5-tetrabromophenoxy)benzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "skos:prefLabel": { "@language": "nl", "@value": "nonabroomdifenylether" } }, { "@id": "csc:IUYHQGMDSZOPDZ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "2,3,4-trichloorbifenyl" }, "dbo:casNumber": [ "55702-46-0", "25323-68-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "PCB21", "dbo:smiles": "C1=CC=C(C=C1)C2=C(C(=C(C=C2)Cl)Cl)Cl", "dbo:formula": "C12H7Cl3", "dbo:pubchem": { "@value": "41541", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-4-phenylbenzene" }, "rdfs:seeAlso": { "@id": "compound:41541" }, "dbp:inchikey": "IUYHQGMDSZOPDZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H7Cl3/c13-10-7-6-9(11(14)12(10)15)8-4-2-1-3-5-8/h1-7H" }, { "@id": "csc:RTDCJKARQCRONF-UHFFFAOYSA-N", "dbo:smiles": "CCN(C)N=O", "skos:notation": "C1yC2yNOAe", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004777" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C3H8N2O", "dbp:inchikey": "RTDCJKARQCRONF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:25418" }, "dbo:iupacName": { "@language": "en", "@value": "N-ethyl-N-methylnitrous amide" }, "dbo:pubchem": { "@value": "25418", "@type": "xsd:int" }, "dbo:casNumber": "10595-95-6", "skos:prefLabel": { "@language": "nl", "@value": "methylethylnitrosamine" }, "dbo:inchi": "InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3" }, { "@id": "csc:CEAZRRDELHUEMR-UHFFFAOYSA-N", "dbp:inchikey": "CEAZRRDELHUEMR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001675" }, "skos:prefLabel": { "@language": "nl", "@value": "gentamycine" }, "dbo:casNumber": "1403-66-3", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "gentmcne", "rdfs:seeAlso": { "@id": "compound:3467" }, "dbo:pubchem": { "@value": "3467", "@type": "xsd:int" }, "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:formula": "C21H43N5O7", "dbo:iupacName": { "@language": "en", "@value": "2-[4,6-diamino-3-[3-amino-6-(1-methylaminoethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-5-methyl-4-methylaminooxane-3,5-diol" }, "dbo:smiles": "CC(C1CCC(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)NC", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:YPXOPAFVVHXQDP-ZZEZOPTASA-N", "dbo:smiles": "CC1=CC(=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32)C", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "C.I. Solvent Orange 7" }, "rdfs:seeAlso": { "@id": "compound:5809936" }, "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:formula": "C18H16N2O", "dbo:pubchem": { "@value": "5809936", "@type": "xsd:int" }, "dbo:casNumber": "3118-97-6", "skos:notation": "cisoe7", "dbo:iupacName": { "@language": "en", "@value": "['1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one', '(1Z)-1-[(2,4-dimethylphenyl)hydrazinylidene]naphthalen-2-one']" }, "dbp:inchikey": "YPXOPAFVVHXQDP-ZZEZOPTASA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "c.i. solvent orange 7" } }, { "@id": "csc:JZFZCLFEPXCRCA-UHFFFAOYSA-N", "dbo:casNumber": "74472-40-5", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,5-tetrachloro-4-(2,6-dichlorophenyl)benzene" }, "dbo:formula": "C12H4Cl6", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4,6,6'-hexachloorbifenyl" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "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", "dbp:inchikey": "JZFZCLFEPXCRCA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "93442", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:93442" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)C2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl", "skos:notation": "PCB145" }, { "@id": "csc:XOXHILFPRYWFOD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XOXHILFPRYWFOD-UHFFFAOYSA-N", "dbo:casNumber": "80-32-0", "rdfs:seeAlso": { "@id": "compound:6634" }, "dbo:pubchem": { "@value": "6634", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfachloropyridazine" }, "skos:altLabel": { "@language": "nl", "@value": "sulfachloorpyridazine" }, "dbo:formula": "C10H9ClN4O2S", "skos:notation": "sulfClprdzne", "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "dbo:smiles": "C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(C=C2)Cl", "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide" }, "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)" }, { "@id": "csc:METKIMKYRPQLGS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide" }, "rdfs:seeAlso": { "@id": "compound:2249" }, "dbo:formula": "C14H22N2O3", "skos:exactMatch": { "@id": "wise:CAS_29122-68-7" }, "skos:prefLabel": { "@language": "nl", "@value": "atenolol" }, "dbo:casNumber": [ "60966-51-0", "29122-68-7" ], "dbo:pubchem": { "@value": "2249", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002363" }, "dbp:inchikey": "METKIMKYRPQLGS-UHFFFAOYSA-N", "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)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "atnll", "dbo:smiles": "CC(C)NCC(COC1=CC=C(C=C1)CC(=O)N)O" }, { "@id": "csc:WCIMWHNSWLLELS-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:14663" }, "dbo:casNumber": [ "2276-90-6", "15845-98-4", "1225-20-3" ], "dbp:inchikey": "WCIMWHNSWLLELS-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "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", "skos:prefLabel": { "@language": "nl", "@value": "jotalaminezuur" }, "dbo:formula": "C11H8I3N2NaO4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14663", "@type": "xsd:int" }, "dbo:smiles": "CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]", "dbo:iupacName": { "@language": "en", "@value": "sodium 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoate" }, "skos:broader": { "@id": "csc:CHEMONTID_0004361" }, "skos:notation": "jotlmnzr" }, { "@id": "csc:HSSBORCLYSCBJR-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "133-90-4", "dbo:inchi": "InChI=1S/C7H5Cl2NO2/c8-3-1-4(7(11)12)6(9)5(10)2-3/h1-2H,10H2,(H,11,12)", "skos:notation": "3Ao25DClbzez", "rdfs:seeAlso": { "@id": "compound:8630" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "3-Amino-2,5-dichlorobenzoic acid" }, "dbo:formula": "C7H5Cl2NO2", "skos:broader": { "@id": "csc:CHEMONTID_0002611" }, "dbo:smiles": "C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl", "dbo:pubchem": { "@value": "8630", "@type": "xsd:int" }, "dbp:inchikey": "HSSBORCLYSCBJR-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3-amino-2,5-dichloor-benzoezuur" } }, { "@id": "csc:MTCPZNVSDFCBBE-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "91662", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:91662" }, "dbp:inchikey": "MTCPZNVSDFCBBE-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)C2=C(C=C(C=C2Cl)Cl)Cl)Cl", "dbo:formula": "C12H5Cl5", "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,6,6'-pentachloorbifenyl" }, "skos:notation": "PCB104", "dbo:casNumber": "56558-16-8" }, { "@id": "csc:JGSARLDLIJGVTE-MBNYWOFBSA-N", "dbo:iupacName": { "@language": "en", "@value": "(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid" }, "dbo:smiles": "CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C16H18N2O4S", "skos:altLabel": [ { "@language": "nl", "@value": "benzylpenicilline" }, { "@language": "nl", "@value": "penicilline g" } ], "rdfs:seeAlso": { "@id": "compound:5904" }, "skos:broader": { "@id": "csc:CHEMONTID_0004830" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "JGSARLDLIJGVTE-MBNYWOFBSA-N", "dbo:casNumber": "61-33-6", "dbo:pubchem": { "@value": "5904", "@type": "xsd:int" }, "skos:notation": "penclnG", "skos:prefLabel": { "@language": "nl", "@value": "penicilline G" }, "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" }, { "@id": "csc:QORAVNMWUNPXAO-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)C2=C(C=C(C=C2)Cl)Cl", "skos:notation": "PCB47", "dbo:pubchem": { "@value": "17097", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "QORAVNMWUNPXAO-UHFFFAOYSA-N", "dbo:casNumber": [ "2437-79-8", "11104-29-3", "53469-21-9" ], "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-dichloro-1-(2,4-dichlorophenyl)benzene" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:17097" }, "dbo:formula": "C12H6Cl4", "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,4'-tetrachloorbifenyl" } }, { "@id": "csc:VWVSBHGCDBMOOT-OKPPOTDYSA-N", "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:formula": "C22H29FO4", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbp:inchikey": "VWVSBHGCDBMOOT-OKPPOTDYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "desoximetason" }, "dbo:casNumber": "382-67-2", "skos:notation": "desOxmtsn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:9793" }, "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "dbo:smiles": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)CO)C)O)F)C", "dbo:pubchem": { "@value": "9793", "@type": "xsd:int" } }, { "@id": "csc:OQDXASJSCOTNQS-UHFFFAOYSA-N", "dbo:casNumber": [ "203-33-8", "56832-73-6" ], "skos:prefLabel": { "@language": "nl", "@value": "benzo(a)fluorantheen" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "9146", "@type": "xsd:int" }, "dbp:inchikey": "OQDXASJSCOTNQS-UHFFFAOYSA-N", "skos:notation": "BaF", "dbo:iupacName": { "@language": "en", "@value": "pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene" }, "dbo:smiles": "C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=CC=CC=C54", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C20H12", "skos:broader": { "@id": "csc:CHEMONTID_0000018" }, "rdfs:seeAlso": { "@id": "compound:9146" }, "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" }, { "@id": "csc:PHVNLLCAQHGNKU-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dimethipin" }, "skos:notation": "Dmtpn", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000505" }, "dbo:iupacName": { "@language": "en", "@value": "2,3-dimethyl-5,6-dihydro-1,4-dithiine 1,1,4,4-tetraoxide" }, "rdfs:seeAlso": { "@id": "compound:41385" }, "dbo:inchi": "InChI=1S/C6H10O4S2/c1-5-6(2)12(9,10)4-3-11(5,7)8/h3-4H2,1-2H3", "dbo:smiles": "CC1=C(S(=O)(=O)CCS1(=O)=O)C", "dbo:pubchem": { "@value": "41385", "@type": "xsd:int" }, "dbo:formula": "C6H10O4S2", "dbp:inchikey": "PHVNLLCAQHGNKU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "55290-64-7" }, { "@id": "csc:VLHZQNGNJQYAIZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "29777", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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", "skos:broader": { "@id": "csc:CHEMONTID_0001016" }, "skos:notation": "nC17yccC6a", "dbo:formula": "C23H46", "dbp:inchikey": "VLHZQNGNJQYAIZ-UHFFFAOYSA-N", "dbo:casNumber": "19781-73-8", "dbo:iupacName": { "@language": "en", "@value": "HEPTADECYLCYCLOHEXANE" }, "skos:prefLabel": { "@language": "nl", "@value": "n-heptadecylcyclohexaan" }, "rdfs:seeAlso": { "@id": "compound:29777" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCCCCCCCCCCC1CCCCC1" }, { "@id": "csc:GVEDOIATHPCYGS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11931" }, "dbo:pubchem": { "@value": "11931", "@type": "xsd:int" }, "dbo:formula": "C14H14", "dbo:iupacName": { "@language": "en", "@value": "1-methyl-3-(3-methylphenyl)benzene" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CC1=CC(=CC=C1)C2=CC=CC(=C2)C", "dbo:casNumber": "612-75-9", "skos:prefLabel": { "@language": "nl", "@value": "3,3'-dimethylbifenyl" }, "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "GVEDOIATHPCYGS-UHFFFAOYSA-N", "skos:notation": "33DC1ybiFy", "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" }, { "@id": "csc:LPDSNGAFAJYVKH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3033870" }, "dbo:casNumber": "1331-47-1", "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:smiles": "C1=CC(=CC=C1C2=C(C(=C(C=C2)N)Cl)Cl)N", "skos:prefLabel": { "@language": "nl", "@value": "dichloorbenzidine" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0003955" }, "dbo:iupacName": { "@language": "en", "@value": "4-(4-aminophenyl)-2,3-dichloroaniline" }, "dbo:formula": "C12H10Cl2N2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "LPDSNGAFAJYVKH-UHFFFAOYSA-N", "skos:notation": "DClbzdne", "dbo:pubchem": { "@value": "3033870", "@type": "xsd:int" } }, { "@id": "csc:HWCKGOZZJDHMNC-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "tetraethylazanium bromide" }, "dbo:casNumber": [ "65129-07-9", "71-91-0", "65129-11-5" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "tetraethylammonium bromide" }, "rdfs:seeAlso": { "@id": "compound:6285" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6285", "@type": "xsd:int" }, "skos:notation": "T4C2yeNHBr", "dbp:inchikey": "HWCKGOZZJDHMNC-UHFFFAOYSA-M", "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:smiles": "CC[N+](CC)(CC)CC.[Br-]", "skos:broader": { "@id": "csc:CHEMONTID_0004225" } }, { "@id": "csc:XOKCJXZZNAUIQN-UHFFFAOYSA-N", "dbo:casNumber": [ "79581-34-3", "37096-14-3", "27323-64-4", "34834-67-8" ], "dbo:iupacName": { "@language": "en", "@value": "3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0001975" }, "dbo:formula": "C10H12N2O2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "hydroxycotinine" }, "dbo:smiles": "CN1C(CC(C1=O)O)C2=CN=CC=C2", "rdfs:seeAlso": { "@id": "compound:414" }, "skos:notation": "HOxctnne", "dbo:pubchem": { "@value": "414", "@type": "xsd:int" }, "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", "dbp:inchikey": "XOKCJXZZNAUIQN-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:CIOAGBVUUVVLOB-OIOBTWANSA-N", "rdfs:seeAlso": { "@id": "compound:5464271" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "strontium 85" }, "dbp:inchikey": "CIOAGBVUUVVLOB-OIOBTWANSA-N", "dbo:smiles": "[Sr]", "dbo:pubchem": { "@value": "5464271", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000428" }, "skos:notation": "Sr85", "dbo:inchi": "InChI=1S/Sr/i1-3", "dbo:formula": "Sr", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "13967-73-2", "dbo:iupacName": { "@language": "en", "@value": "strontium-85" } }, { "@id": "csc:ZIBGPFATKBEMQZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2", "dbo:pubchem": { "@value": "8172", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8172" }, "dbo:smiles": "C(COCCOCCO)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "112-27-6", "118662-30-9", "121202-29-7", "676-18-6" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003338" }, "dbo:formula": "C6H14O4", "skos:notation": "TC2yegcl", "dbo:iupacName": { "@language": "en", "@value": "2-[2-(2-hydroxyethoxy)ethoxy]ethanol" }, "dbp:inchikey": "ZIBGPFATKBEMQZ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "triethyleenglycol" } }, { "@id": "csc:VRXISYRYNOUKHO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "perfluoroctaanzuur, kaliumzout" }, "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", "skos:notation": "PFOA_K", "dbp:inchikey": "VRXISYRYNOUKHO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3083763" }, "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+]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003962" }, "dbo:iupacName": { "@language": "en", "@value": "potassium; hydride; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid" }, "dbo:casNumber": "2395-00-8", "dbo:pubchem": { "@value": "3083763", "@type": "xsd:int" }, "dbo:formula": "C8H2F15KO2" }, { "@id": "csc:OQZCSNDVOWYALR-UHFFFAOYSA-N", "dbp:inchikey": "OQZCSNDVOWYALR-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one" }, "dbo:pubchem": { "@value": "91677", "@type": "xsd:int" }, "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:smiles": "C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl", "dbo:casNumber": [ "89286-81-7", "61213-25-0" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:91677" }, "skos:prefLabel": { "@language": "nl", "@value": "flurochloridon" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "flurcrdn", "skos:broader": { "@id": "csc:CHEMONTID_0002336" }, "dbo:formula": "C12H10Cl2F3NO" }, { "@id": "csc:MLICVSDCCDDWMD-KVVVOXFISA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C18H33KO2", "rdfs:seeAlso": { "@id": "compound:6433168" }, "dbo:pubchem": { "@value": "6433168", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "potassium (Z)-octadec-9-enoate" }, "dbo:casNumber": "143-18-0", "dbo:smiles": "CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]", "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-;", "dbp:inchikey": "MLICVSDCCDDWMD-KVVVOXFISA-M", "skos:broader": { "@id": "csc:CHEMONTID_0002949" }, "skos:notation": "Kolat", "skos:prefLabel": { "@language": "nl", "@value": "kaliumoleaat" } }, { "@id": "csc:QNDHIRFIMVNHBN-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]acetic acid" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": [ "NmeFOSAA", "MePFOSAA" ], "rdfs:seeAlso": { "@id": "compound:22286931" }, "dbo:formula": "C11H6F17NO4S", "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", "dbo:pubchem": { "@value": "22286931", "@type": "xsd:int" }, "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)", "skos:broader": { "@id": "csc:CHEMONTID_0003960" }, "skos:prefLabel": { "@language": "nl", "@value": "N-methylperfluoroctaansulfonamido-azijnzuur" }, "dbo:casNumber": "2355-31-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "QNDHIRFIMVNHBN-UHFFFAOYSA-N" }, { "@id": "csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N", "dbp:inchikey": "XKEFYDZQGKAQCN-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "135TClBen", "dbo:inchi": "InChI=1S/C6H3Cl3/c7-4-1-5(8)3-6(9)2-4/h1-3H", "dbo:casNumber": [ "63697-19-8", "108-70-3" ], "dbo:smiles": "C1=C(C=C(C=C1Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,3,5-Trichlorobenzene" }, "dbo:formula": "C6H3Cl3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "rdfs:seeAlso": { "@id": "compound:7950" }, "dbo:pubchem": { "@value": "7950", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_108-70-3" }, "skos:prefLabel": { "@language": "nl", "@value": "1,3,5-trichloorbenzeen" } }, { "@id": "csc:FLASNYPZGWUPSU-SICDJOISSA-N", "rdfs:seeAlso": { "@id": "compound:71853" }, "dbo:iupacName": { "@language": "en", "@value": "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" }, "dbp:inchikey": "FLASNYPZGWUPSU-SICDJOISSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "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", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "57285-05-9", "9012-76-4" ], "skos:prefLabel": { "@language": "nl", "@value": "chitosan" }, "skos:notation": "chitsn", "dbo:pubchem": { "@value": "71853", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000198" }, "dbo:formula": "C56H103N9O39" }, { "@id": "csc:IAEGWXHKWJGQAZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "26808", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:26808" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "14667-55-1", "124765-77-1" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "IAEGWXHKWJGQAZ-UHFFFAOYSA-N", "skos:notation": "235TC1yprzne", "skos:prefLabel": { "@language": "nl", "@value": "2,3,5-trimethylpyrazine" }, "dbo:formula": "C7H10N2", "dbo:inchi": "InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3", "dbo:iupacName": { "@language": "en", "@value": "2,3,5-Trimethylpyrazine" }, "dbo:smiles": "CC1=CN=C(C(=N1)C)C", "skos:broader": { "@id": "csc:CHEMONTID_0000067" } }, { "@id": "csc:DKNWSYNQZKUICI-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:2130" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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:pubchem": { "@value": "2130", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "amantadine" }, "skos:notation": "amtdne", "dbo:formula": "C10H17N", "dbp:inchikey": "DKNWSYNQZKUICI-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "dbo:iupacName": { "@language": "en", "@value": "adamantan-1-amine" }, "dbo:casNumber": "768-94-5", "dbo:smiles": "C1C2CC3CC1CC(C2)(C3)N" }, { "@id": "csc:LTQSAUHRSCMPLD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "947-33-1", "12643-22-0", "950-10-7" ], "dbo:formula": "C8H16NO3PS2", "skos:prefLabel": { "@language": "nl", "@value": "mefosfolan" }, "dbo:iupacName": { "@language": "en", "@value": "N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine" }, "dbo:pubchem": { "@value": "13707", "@type": "xsd:int" }, "dbp:inchikey": "LTQSAUHRSCMPLD-UHFFFAOYSA-N", "skos:notation": "meffln", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCOP(=O)(N=C1SCC(S1)C)OCC", "skos:broader": { "@id": "csc:CHEMONTID_0000408" }, "rdfs:seeAlso": { "@id": "compound:13707" }, "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" }, { "@id": "csc:LIPRQQHINVWJCH-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H14O3/c1-4-9-5-6(2)10-7(3)8/h6H,4-5H2,1-3H3", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "LIPRQQHINVWJCH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:171378" }, "skos:prefLabel": { "@language": "nl", "@value": "propyleenglycolmonoethyletheracetaat" }, "dbo:iupacName": { "@language": "en", "@value": "1-ethoxypropan-2-yl acetate" }, "dbo:formula": "C7H14O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "171378", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001238" }, "dbo:casNumber": "54839-24-6", "dbo:smiles": "CCOCC(C)OC(=O)C", "skos:notation": "PGEEA" }, { "@id": "csc:VZCCETWTMQHEPK-QNEBEIHSSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000504" }, "dbo:smiles": "CCCCCC=CCC=CCC=CCCCCC(=O)O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "glnlzr", "dbo:casNumber": "506-26-3", "dbo:iupacName": { "@language": "en", "@value": "(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid" }, "rdfs:seeAlso": { "@id": "compound:5280933" }, "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:pubchem": { "@value": "5280933", "@type": "xsd:int" }, "dbp:inchikey": "VZCCETWTMQHEPK-QNEBEIHSSA-N", "dbo:formula": "C18H30O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "gamma-linoleenzuur" } }, { "@id": "csc:QSKPIOLLBIHNAC-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "33", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C2H3ClO/c3-1-2-4/h2H,1H2", "skos:prefLabel": { "@language": "nl", "@value": "chlooraceetaldehyde" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbp:inchikey": "QSKPIOLLBIHNAC-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:33" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H3ClO", "skos:notation": "ClacAh", "dbo:casNumber": "107-20-0", "dbo:smiles": "C(C=O)Cl", "skos:altLabel": { "@language": "nl", "@value": "chlooraceetaldehyde " }, "dbo:iupacName": { "@language": "en", "@value": "2-CHLOROACETALDEHYDE" } }, { "@id": "csc:JUIQOABNSLTJSW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:16867" }, "dbo:formula": "C4H7NS", "skos:notation": "2C1y2tazlne", "dbo:pubchem": { "@value": "16867", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C4H7NS/c1-4-5-2-3-6-4/h2-3H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0000229" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-2-thiazoline" }, "dbo:casNumber": "2346-00-1", "dbo:smiles": "CC1=NCCS1", "dbo:iupacName": { "@language": "en", "@value": "2-methyl-4,5-dihydro-1,3-thiazole" }, "dbp:inchikey": "JUIQOABNSLTJSW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:RGLYKWWBQGJZGM-ISLYRVAYSA-N", "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" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "diethylstilboestrol" }, "dbo:formula": "C18H20O2", "skos:broader": { "@id": "csc:CHEMONTID_0000253" }, "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+", "rdfs:seeAlso": { "@id": "compound:448537" }, "dbo:pubchem": { "@value": "448537", "@type": "xsd:int" }, "dbo:smiles": "CCC(=C(CC)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O", "dbo:iupacName": { "@language": "en", "@value": "['4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol', '4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol']" }, "skos:notation": "DC2ysbsl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "RGLYKWWBQGJZGM-ISLYRVAYSA-N" }, { "@id": "csc:PMSYHBINVYHTNN-ONNFQVAWSA-N", "dbo:casNumber": [ "131-72-6", "49794-90-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0002319" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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+", "skos:notation": "meptdncp", "dbp:inchikey": "PMSYHBINVYHTNN-ONNFQVAWSA-N", "dbo:formula": "C18H24N2O6", "skos:prefLabel": { "@language": "nl", "@value": "meptyldinocap" }, "dbo:pubchem": { "@value": "6436020", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6436020" }, "dbo:smiles": "CCCCCCCCC1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=CC", "dbo:iupacName": { "@language": "en", "@value": "(2,4-dinitro-6-octylphenyl) (E)-but-2-enoate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:QBDSZLJBMIMQRS-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-(2-phenylpropan-2-yl)phenol" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "QBDSZLJBMIMQRS-UHFFFAOYSA-N", "dbo:smiles": "CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)O", "skos:prefLabel": { "@language": "nl", "@value": "4-cumylfenol" }, "rdfs:seeAlso": { "@id": "compound:11742" }, "dbo:pubchem": { "@value": "11742", "@type": "xsd:int" }, "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", "skos:notation": "4cumFol", "dbo:casNumber": [ "599-64-4", "28261-59-8" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C15H16O", "skos:broader": { "@id": "csc:CHEMONTID_0000369" } }, { "@id": "csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_314-40-9" }, "skos:prefLabel": { "@language": "nl", "@value": "bromacil" }, "dbo:formula": "C9H13BrN2O2", "dbo:pubchem": { "@value": "9411", "@type": "xsd:int" }, "skos:notation": "bromcl", "rdfs:seeAlso": { "@id": "compound:9411" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001893" }, "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)", "dbp:inchikey": "CTSLUCNDVMMDHG-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione" }, "dbo:smiles": "CCC(C)N1C(=O)C(=C(NC1=O)C)Br", "dbo:casNumber": "314-40-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WVDDGKGOMKODPV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "phenylmethanol" }, "dbo:smiles": "C1=CC=C(C=C1)CO", "dbo:formula": "C7H8O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "100-51-6", "1336-27-2", "185532-71-2" ], "dbo:pubchem": { "@value": "244", "@type": "xsd:int" }, "skos:notation": "aHOxTol", "dbp:inchikey": "WVDDGKGOMKODPV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:244" }, "dbo:inchi": "InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2", "skos:prefLabel": { "@language": "nl", "@value": "alfa-hydroxytolueen" }, "skos:broader": { "@id": "csc:CHEMONTID_0000033" } }, { "@id": "csc:ZNRLMGFXSPUZNR-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8981" }, "dbp:inchikey": "ZNRLMGFXSPUZNR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "2,2,4-trimethyl-1H-quinoline" }, "dbo:smiles": "CC1=CC(NC2=CC=CC=C12)(C)C", "skos:broader": { "@id": "csc:CHEMONTID_0001716" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dihydro-2,2,4-trimethylquinoline" }, "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", "skos:notation": "12DH224TC1yq", "dbo:casNumber": [ "147-47-7", "52038-43-4", "26780-96-1", "55069-42-6" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H15N", "dbo:pubchem": { "@value": "8981", "@type": "xsd:int" } }, { "@id": "csc:CHNUNORXWHYHNE-UHFFFAOYSA-N", "dbo:casNumber": "19666-30-9", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:exactMatch": { "@id": "wise:CAS_19666-30-9" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "oxadiazon" }, "dbo:smiles": "CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:29732" }, "dbo:pubchem": { "@value": "29732", "@type": "xsd:int" }, "skos:notation": "OaDazn", "dbo:formula": "C15H18Cl2N2O3", "dbp:inchikey": "CHNUNORXWHYHNE-UHFFFAOYSA-N" }, { "@id": "csc:IJDNQMDRQITEOD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7843", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "BUTANE" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CCCC", "rdfs:seeAlso": { "@id": "compound:7843" }, "dbo:formula": "C4H10", "dbo:inchi": "InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "C4a", "dbo:casNumber": [ "68514-31-8", "68551-21-3", "106-97-8", "68476-42-6", "68527-17-3", "68475-59-2" ], "dbp:inchikey": "IJDNQMDRQITEOD-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "skos:prefLabel": { "@language": "nl", "@value": "butaan" } }, { "@id": "csc:YOVRGSHRZRJTLZ-HZPDHXFCSA-N", "dbo:formula": "C21H28O4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0003522" }, "dbo:smiles": "CCCCCC1=CC(=C2C3C=C(CCC3C(OC2=C1)(C)C)C(=O)O)O", "dbo:casNumber": "56354-06-4", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "YOVRGSHRZRJTLZ-HZPDHXFCSA-N", "skos:notation": "m11n9cbxd9TH", "skos:prefLabel": { "@language": "nl", "@value": "(-)-11-nor-9-carboxy-delta-9-tetrahydrocannabinol" }, "dbo:pubchem": { "@value": "108207", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:108207" }, "dbo:iupacName": { "@language": "en", "@value": "(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid" } }, { "@id": "csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N", "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)", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CNC(=O)OC1=CC=CC2=CC=CC=C21", "dbo:casNumber": [ "27636-33-5", "51274-03-4", "63-25-2", "11095-11-7", "52001-89-5", "11130-47-5", "3197-92-0" ], "rdfs:seeAlso": { "@id": "compound:6129" }, "skos:notation": "carbrl", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:prefLabel": { "@language": "nl", "@value": "carbaryl" }, "dbo:iupacName": { "@language": "en", "@value": "naphthalen-1-yl N-methylcarbamate" }, "dbo:formula": "C12H11NO2", "dbo:pubchem": { "@value": "6129", "@type": "xsd:int" }, "dbp:inchikey": "CVXBEEMKQHEXEN-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_63-25-2" } }, { "@id": "csc:BULHJTXRZFEUDQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "38307", "@type": "xsd:int" }, "dbo:formula": "C6H12Cl2O", "dbo:iupacName": { "@language": "en", "@value": "2-chloro-2-(2-chloropropan-2-yloxy)propane" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "BULHJTXRZFEUDQ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H12Cl2O/c1-5(2,7)9-6(3,4)8/h1-4H3", "skos:prefLabel": { "@language": "nl", "@value": "bis(2-chloorisopropyl)ether" }, "dbo:casNumber": "39638-32-9", "rdfs:seeAlso": { "@id": "compound:38307" }, "dbo:smiles": "CC(C)(OC(C)(C)Cl)Cl", "skos:notation": "bis2CliC3yEt", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "51043", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "pcb 81" }, { "@language": "nl", "@value": "3,4,4',5-tetrachloorbifenyl (pcb81)" }, { "@language": "nl", "@value": "3,4,4',5-tetrachlorobifenyl" } ], "skos:exactMatch": { "@id": "wise:CAS_70362-50-4" }, "skos:prefLabel": { "@language": "nl", "@value": "PCB 81" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "PCB81", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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", "rdfs:seeAlso": { "@id": "compound:51043" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:casNumber": "70362-50-4", "dbo:smiles": "C1=CC(=CC=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl", "dbo:formula": "C12H6Cl4", "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(4-chlorophenyl)benzene" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "dbp:inchikey": "BHWVLZJTVIYLIV-UHFFFAOYSA-N" }, { "@id": "csc:SIXSYDAISGFNSX-OUBTZVSYSA-N", "dbo:smiles": "[Sc]", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/Sc/i1+1", "rdfs:seeAlso": { "@id": "compound:107673" }, "skos:notation": "Sc46", "dbo:formula": "Sc", "skos:prefLabel": { "@language": "nl", "@value": "scandium 46" }, "dbo:pubchem": { "@value": "107673", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "scandium-46" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "13967-63-0", "dbp:inchikey": "SIXSYDAISGFNSX-OUBTZVSYSA-N" }, { "@id": "csc:GGWBHVILAJZWKJ-KJEVSKRMSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ranitidine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.Cl", "dbo:casNumber": [ "71130-06-8", "66357-35-5", "66357-59-3" ], "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+;", "dbp:inchikey": "GGWBHVILAJZWKJ-KJEVSKRMSA-N", "dbo:pubchem": { "@value": "3033332", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:3033332" }, "skos:broader": { "@id": "csc:CHEMONTID_0003899" }, "dbo:iupacName": { "@language": "en", "@value": "[\"(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\"]" }, "dbo:formula": "C13H23ClN4O3S", "skos:notation": "rantdne" }, { "@id": "csc:ARXHIJMGSIYYRZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:38015" }, "dbo:smiles": "C1=CC(=C(C=C1C2=C(C=CC(=C2Cl)Cl)Cl)Cl)Cl", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "ARXHIJMGSIYYRZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "38015", "@type": "xsd:int" }, "dbo:formula": "C12H5Cl5", "skos:notation": "PCB110", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4',6-pentachloorbifenyl" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-3-(3,4-dichlorophenyl)benzene" }, "dbo:casNumber": "38380-03-9" }, { "@id": "csc:MSJLMQTXVKCUCD-UHFFFAOYSA-M", "dbo:casNumber": "93-23-2", "skos:broader": { "@id": "csc:CHEMONTID_0002566" }, "dbo:iupacName": { "@language": "en", "@value": "2-dodecylisoquinolin-2-ium bromide" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "7132", "@type": "xsd:int" }, "dbo:formula": "C21H32BrN", "dbo:smiles": "CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "dodecylisoquinolinium" }, "dbp:inchikey": "MSJLMQTXVKCUCD-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:7132" } }, { "@id": "csc:DFBKLUNHFCTMDC-PICURKEMSA-N", "dbo:formula": "C12H8Cl6O", "rdfs:seeAlso": { "@id": "compound:969491" }, "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-", "skos:exactMatch": { "@id": "wise:CAS_60-57-1" }, "dbo:casNumber": [ "128-10-9", "60-57-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001549" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbo:pubchem": { "@value": "969491", "@type": "xsd:int" }, "dbp:inchikey": "DFBKLUNHFCTMDC-PICURKEMSA-N", "dbo:smiles": "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl", "skos:notation": "dieldn", "skos:prefLabel": { "@language": "nl", "@value": "dieldrin" } }, { "@id": "csc:DQJCHOQLCLEDLL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tricyclazool" }, "dbo:inchi": "InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0004201" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "Tcczl", "dbo:casNumber": "41814-78-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H7N3S", "dbo:smiles": "CC1=C2C(=CC=C1)SC3=NN=CN23", "dbo:iupacName": { "@language": "en", "@value": "8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole" }, "dbo:pubchem": { "@value": "39040", "@type": "xsd:int" }, "dbp:inchikey": "DQJCHOQLCLEDLL-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:39040" } }, { "@id": "csc:LZIPBJBQQPZLOR-UHFFFAOYSA-N", "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", "rdfs:seeAlso": { "@id": "compound:228289" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate" }, "skos:prefLabel": { "@language": "nl", "@value": "di-p-tolueensulfonaat-ethyleenglycol" }, "dbo:casNumber": "6315-52-2", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "LZIPBJBQQPZLOR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "228289", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004309" }, "dbo:smiles": "CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C2=CC=C(C=C2)C", "skos:notation": "DpTolsfnC2ye", "dbo:formula": "C16H18O6S2" }, { "@id": "cosc:water", "skos:member": [ { "@id": "csc:IUTPYMGCWINGEY-UHFFFAOYSA-N" }, { "@id": "csc:KFUSEUYYWQURPO-OWOJBTEDSA-N" }, { "@id": "csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N" }, { "@id": "csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N" }, { "@id": "csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N" }, { "@id": "csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N" }, { "@id": "csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N" }, { "@id": "csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N" }, { "@id": "csc:RQNWIZPPADIBDY-UHFFFAOYSA-N" }, { "@id": "csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N" }, { "@id": "csc:CYRMSUTZVYGINF-UHFFFAOYSA-N" }, { "@id": "csc:QSHDDOUJBYECFT-UHFFFAOYSA-N" }, { "@id": "csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N" }, { "@id": "csc:CVXBEEMKQHEXEN-UHFFFAOYSA-N" }, { "@id": "csc:LLWADFLAOKUBDR-UHFFFAOYSA-N" }, { "@id": "csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N" }, { "@id": "csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N" }, { "@id": "csc:URLKBWYHVLBVBO-UHFFFAOYSA-N" }, { "@id": "csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K" }, { "@id": "csc:NFACJZMKEDPNKN-UHFFFAOYSA-N" }, { "@id": "csc:NTBYINQTYWZXLH-UHFFFAOYSA-N" }, { "@id": "csc:HEFNNWSXXWATRW-UHFFFAOYSA-N" }, { "@id": "csc:LINPIYWFGCPVIE-UHFFFAOYSA-N" }, { "@id": "csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N" }, { "@id": "csc:KAATUXNTWXVJKI-UHFFFAOYSA-N" }, { "@id": "csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N" }, { "@id": "csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N" }, { "@id": "csc:WHKUVVPPKQRRBV-UHFFFAOYSA-N" }, { "@id": "csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N" }, { "@id": "csc:IROINLKCQGIITA-UHFFFAOYSA-N" }, { "@id": "csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N" }, { "@id": "csc:XAGFODPZIPBFFR-UHFFFAOYSA-N" }, { "@id": "csc:UFWIBTONFRDIAS-UHFFFAOYSA-N" }, { "@id": "csc:CSHWQDPOILHKBI-UHFFFAOYSA-N" }, { "@id": "csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N" }, { "@id": "csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N" }, { "@id": "csc:HEDRZPFGACZZDS-UHFFFAOYSA-N" }, { "@id": "csc:KSMVNVHUTQZITP-UHFFFAOYSA-N" }, { "@id": "csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N" }, { "@id": "csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N" }, { "@id": "csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N" }, { "@id": "csc:UHOVQNZJYSORNB-UHFFFAOYSA-N" }, { "@id": "csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N" }, { "@id": "csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N" }, { "@id": "csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N" }, { "@id": "csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N" }, { "@id": "csc:MZHCENGPTKEIGP-UHFFFAOYSA-N" }, { "@id": "csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N" }, { "@id": "csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N" }, { "@id": "csc:PUDIUYLPXJFUGB-UHFFFAOYSA-N" }, { "@id": "csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N" }, { "@id": "csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N" }, { "@id": "csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N" }, { "@id": "csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N" }, { "@id": "csc:NPDACUSDTOMAMK-UHFFFAOYSA-N" }, { "@id": "csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N" }, { "@id": "csc:QSNSCYSYFYORTR-UHFFFAOYSA-N" }, { "@id": "csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N" }, { "@id": "csc:NRXQIUSYPAHGNM-UHFFFAOYSA-N" }, { "@id": "csc:QHOQHJPRIBSPCY-UHFFFAOYSA-N" }, { "@id": "csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N" }, { "@id": "csc:REHONNLQRWTIFF-UHFFFAOYSA-N" }, { "@id": "csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N" }, { "@id": "csc:WDECIBYCCFPHNR-UHFFFAOYSA-N" }, { "@id": "csc:XGYLSRFSXKAYCR-UHFFFAOYSA-N" }, { "@id": "csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N" }, { "@id": "csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N" }, { "@id": "csc:VYZAHLCBVHPDDF-UHFFFAOYSA-N" }, { "@id": "csc:HUBANNPOLNYSAD-UHFFFAOYSA-N" }, { "@id": "csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N" }, { "@id": "csc:PXMNMQRDXWABCY-UHFFFAOYSA-N" }, { "@id": "csc:WJNRPILHGGKWCK-UHFFFAOYSA-N" }, { "@id": "csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N" }, { "@id": "csc:XUAWBXBYHDRROL-UHFFFAOYSA-N" }, { "@id": "csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N" }, { "@id": "csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N" }, { "@id": "csc:ATROHALUCMTWTB-WYMLVPIESA-N" }, { "@id": "csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N" }, { "@id": "csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N" }, { "@id": "csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N" }, { "@id": "csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N" }, { "@id": "csc:IISBACLAFKSPIT-UHFFFAOYSA-N" }, { "@id": "csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N" }, { "@id": "csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N" }, { "@id": "csc:HGUFODBRKLSHSI-UHFFFAOYSA-N" }, { "@id": "csc:ZXFXBSWRVIQKOD-UHFFFAOYSA-N" }, { "@id": "csc:ZLMJMSJWJFRBEC-UHFFFAOYSA-N" }, { "@id": "csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N" }, { "@id": "csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N" }, { "@id": "csc:IAYPIBMASNFSPL-UHFFFAOYSA-N" }, { "@id": "csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N" }, { "@id": "csc:GBNHEBQXJVDXSW-UHFFFAOYSA-N" }, { "@id": "csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N" }, { "@id": "csc:DFWFIQKMSFGDCQ-UHFFFAOYSA-N" }, { "@id": "csc:WFKWXMTUELFFGS-UHFFFAOYSA-N" }, { "@id": "csc:XLNZEKHULJKQBA-UHFFFAOYSA-N" }, { "@id": "csc:IIBYAHWJQTYFKB-UHFFFAOYSA-N" }, { "@id": "csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N" }, { "@id": "csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N" }, { "@id": "csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N" }, { "@id": "csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N" }, { "@id": "csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N" }, { "@id": "csc:RDYMFSUJUZBWLH-UHFFFAOYSA-N" }, { "@id": "csc:WFDXOXNFNRHQEC-GHRIWEEISA-N" }, { "@id": "csc:HAXBIWFMXWRORI-UHFFFAOYSA-N" }, { "@id": "csc:RWSOTUBLDIXVET-UHFFFAOYSA-N" }, { "@id": "csc:KFUSEUYYWQURPO-UPHRSURJSA-N" }, { "@id": "csc:AJDIZQLSFPQPEY-UHFFFAOYSA-N" }, { "@id": "csc:LKJPSUCKSLORMF-UHFFFAOYSA-N" }, { "@id": "csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N" }, { "@id": "csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N" }, { "@id": "csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N" }, { "@id": "csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N" }, { "@id": "csc:QPFMBZIOSGYJDE-UHFFFAOYSA-N" }, { "@id": "csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M" }, { "@id": "csc:OBZIQQJJIKNWNO-UHFFFAOYSA-N" }, { "@id": "csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N" }, { "@id": "csc:METKIMKYRPQLGS-UHFFFAOYSA-N" }, { "@id": "csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N" }, { "@id": "csc:DFBKLUNHFCTMDC-PICURKEMSA-N" }, { "@id": "csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N" }, { "@id": "csc:PUIYMUZLKQOUOZ-UHFFFAOYSA-N" }, { "@id": "csc:HAORKNGNJCEJBX-UHFFFAOYSA-N" }, { "@id": "csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N" }, { "@id": "csc:IPKKHRVROFYTEK-UHFFFAOYSA-N" }, { "@id": "csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N" }, { "@id": "csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N" }, { "@id": "csc:RDYMFSUJUZBWLH-VQDHCCOSSA-N" }, { "@id": "csc:PXHVJJICTQNCMI-UHFFFAOYSA-N" }, { "@id": "csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N" }, { "@id": "csc:WHPVYXDFIXRKLN-UHFFFAOYSA-N" }, { "@id": "csc:RTAQQCXQSZGOHL-UHFFFAOYSA-N" }, { "@id": "csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N" }, { "@id": "csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N" }, { "@id": "csc:YFSUTJLHUFNCNZ-UHFFFAOYSA-N" }, { "@id": "csc:ATJFFYVFTNAWJD-UHFFFAOYSA-N" }, { "@id": "csc:GEPDYQSQVLXLEU-AATRIKPKSA-N" }, { "@id": "csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N" }, { "@id": "csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N" }, { "@id": "csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N" }, { "@id": "csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N" }, { "@id": "csc:CMWTZPSULFXXJA-UHFFFAOYSA-N" }, { "@id": "csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N" }, { "@id": "csc:QARVLSVVCXYDNA-UHFFFAOYSA-N" }, { "@id": "csc:STCOOQWBFONSKY-UHFFFAOYSA-N" }, { "@id": "csc:RLBIQVVOMOPOHC-UHFFFAOYSA-N" }, { "@id": "csc:ARERIMFZYPFJAV-UHFFFAOYSA-N" }, { "@id": "csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N" }, { "@id": "csc:TUAMRELNJMMDMT-UHFFFAOYSA-N" }, { "@id": "csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N" }, { "@id": "csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N" }, { "@id": "csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N" }, { "@id": "csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N" }, { "@id": "csc:FZXISNSWEXTPMF-UHFFFAOYSA-N" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N" }, { "@id": "csc:ODLMAHJVESYWTB-UHFFFAOYSA-N" }, { "@id": "csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N" }, { "@id": "csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N" }, { "@id": "csc:ZPQOPVIELGIULI-UHFFFAOYSA-N" }, { "@id": "csc:FSAVDKDHPDSCTO-WQLSENKSSA-N" }, { "@id": "csc:OAICVXFJPJFONN-UHFFFAOYSA-N" }, { "@id": "csc:DXBHBZVCASKNBY-UHFFFAOYSA-N" }, { "@id": "csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N" }, { "@id": "csc:YNPNZTXNASCQKK-UHFFFAOYSA-N" }, { "@id": "csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N" }, { "@id": "csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N" }, { "@id": "csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N" }, { "@id": "csc:BHWVLZJTVIYLIV-UHFFFAOYSA-N" }, { "@id": "csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N" }, { "@id": "csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N" }, { "@id": "csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N" }, { "@id": "csc:LQNUZADURLCDLV-UHFFFAOYSA-N" }, { "@id": "csc:BMLIZLVNXIYGCK-UHFFFAOYSA-N" }, { "@id": "csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N" }, { "@id": "csc:LHHGDZSESBACKH-UHFFFAOYSA-N" }, { "@id": "csc:BJQHLKABXJIVAM-UHFFFAOYSA-N" }, { "@id": "csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N" }, { "@id": "csc:PPBRXRYQALVLMV-UHFFFAOYSA-N" }, { "@id": "csc:YOYAIZYFCNQIRF-UHFFFAOYSA-N" }, { "@id": "csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N" }, { "@id": "csc:NDSBDLSWTGLNQA-UHFFFAOYSA-N" }, { "@id": "csc:BUGBHKTXTAQXES-UHFFFAOYSA-N" }, { "@id": "csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N" }, { "@id": "csc:AKCRQHGQIJBRMN-UHFFFAOYSA-N" }, { "@id": "csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N" }, { "@id": "csc:HRBKVYFZANMGRE-UHFFFAOYSA-N" }, { "@id": "csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N" }, { "@id": "csc:QNBTYORWCCMPQP-JXAWBTAJSA-N" }, { "@id": "csc:PWHULOQIROXLJO-UHFFFAOYSA-N" }, { "@id": "csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N" }, { "@id": "csc:JDMFXJULNGEPOI-UHFFFAOYSA-N" }, { "@id": "csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N" }, { "@id": "csc:AVYGCQXNNJPXSS-UHFFFAOYSA-N" }, { "@id": "csc:FMWLUWPQPKEARP-UHFFFAOYSA-N" }, { "@id": "csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N" }, { "@id": "csc:WWGQHTJIFOQAOC-UHFFFAOYSA-N" }, { "@id": "csc:BQCADISMDOOEFD-UHFFFAOYSA-N" }, { "@id": "csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N" }, { "@id": "csc:SMDHCQAYESWHAE-UHFFFAOYSA-N" }, { "@id": "csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N" }, { "@id": "csc:FSAVDKDHPDSCTO-XYOKQWHBSA-N" }, { "@id": "csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N" }, { "@id": "csc:RQKFYFNZSHWXAW-UHFFFAOYSA-N" }, { "@id": "csc:DGLIBALSRMUQDD-UHFFFAOYSA-N" }, { "@id": "csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N" }, { "@id": "csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N" }, { "@id": "csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N" }, { "@id": "csc:XKJMBINCVNINCA-UHFFFAOYSA-N" }, { "@id": "csc:XKEFYDZQGKAQCN-UHFFFAOYSA-N" }, { "@id": "csc:WVQBLGZPHOPPFO-UHFFFAOYSA-N" }, { "@id": "csc:MGRVRXRGTBOSHW-UHFFFAOYSA-N" }, { "@id": "csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N" }, { "@id": "csc:JFALSRSLKYAFGM-UHFFFAOYSA-N" }, { "@id": "csc:YTZKOQUCBOVLHL-UHFFFAOYSA-N" }, { "@id": "csc:MWBPRDONLNQCFV-UHFFFAOYSA-N" }, { "@id": "csc:PNPCRKVUWYDDST-UHFFFAOYSA-N" }, { "@id": "csc:IOVCWXUNBOPUCH-UHFFFAOYSA-M" }, { "@id": "csc:RHPUJHQBPORFGV-UHFFFAOYSA-N" }, { "@id": "csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N" }, { "@id": "csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N" }, { "@id": "csc:IEDVJHCEMCRBQM-UHFFFAOYSA-N" }, { "@id": "csc:VZGDMQKNWNREIO-UHFFFAOYSA-N" }, { "@id": "csc:BFPYWIDHMRZLRN-SLHNCBLASA-N" }, { "@id": "csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N" }, { "@id": "csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N" }, { "@id": "csc:WABPQHHGFIMREM-UHFFFAOYSA-N" }, { "@id": "csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N" }, { "@id": "csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N" }, { "@id": "csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N" }, { "@id": "csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N" }, { "@id": "csc:RZKKOBGFCAHLCZ-UHFFFAOYSA-N" }, { "@id": "csc:CMVQZRLQEOAYSW-UHFFFAOYSA-N" }, { "@id": "csc:DDBMQDADIHOWIC-UHFFFAOYSA-N" }, { "@id": "csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N" }, { "@id": "csc:UPMXNNIRAGDFEH-UHFFFAOYSA-N" }, { "@id": "csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N" }, { "@id": "csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N" }, { "@id": "csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N" }, { "@id": "csc:XCSNRORTQRKCHB-UHFFFAOYSA-N" }, { "@id": "csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N" }, { "@id": "csc:HCRWJJJUKUVORR-UHFFFAOYSA-N" }, { "@id": "csc:GZUXJHMPEANEGY-UHFFFAOYSA-N" }, { "@id": "csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N" }, { "@id": "csc:UOORRWUZONOOLO-UPHRSURJSA-N" }, { "@id": "csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N" }, { "@id": "csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N" }, { "@id": "csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N" }, { "@id": "csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N" }, { "@id": "csc:CZGCEKJOLUNIFY-UHFFFAOYSA-N" }, { "@id": "csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N" }, { "@id": "csc:WBHQEUPUMONIKF-UHFFFAOYSA-N" }, { "@id": "csc:RNFNDJAIBTYOQL-UHFFFAOYSA-N" }, { "@id": "csc:CAWXEEYDBZRFPE-UHFFFAOYSA-N" }, { "@id": "csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N" }, { "@id": "csc:BFCFYVKQTRLZHA-UHFFFAOYSA-N" }, { "@id": "csc:JHSPCUHPSIUQRB-UHFFFAOYSA-N" }, { "@id": "csc:OSDWBNJEKMUWAV-UHFFFAOYSA-N" }, { "@id": "csc:JTPNRXUCIXHOKM-UHFFFAOYSA-N" }, { "@id": "csc:IRCMYGHHKLLGHV-UHFFFAOYSA-N" }, { "@id": "csc:LEONUFNNVUYDNQ-UHFFFAOYSA-N" }, { "@id": "csc:CEOCDNVZRAIOQZ-UHFFFAOYSA-N" }, { "@id": "csc:OGBQILNBLMPPDP-UHFFFAOYSA-N" }, { "@id": "csc:RWNKSTSCBHKHTB-UHFFFAOYSA-N" }, { "@id": "csc:NXXYKOUNUYWIHA-UHFFFAOYSA-N" }, { "@id": "csc:IVENSCMCQBJAKW-UHFFFAOYSA-N" }, { "@id": "csc:REEQLXCGVXDJSQ-UHFFFAOYSA-N" }, { "@id": "csc:KVGLBTYUCJYMND-UHFFFAOYSA-N" }, { "@id": "csc:PGOOBECODWQEAB-UHFFFAOYSA-N" }, { "@id": "csc:MMOXZBCLCQITDF-UHFFFAOYSA-N" }, { "@id": "csc:IWEDIXLBFLAXBO-UHFFFAOYSA-N" }, { "@id": "csc:CHNUNORXWHYHNE-UHFFFAOYSA-N" }, { "@id": "csc:HDHLIWCXDDZUFH-UHFFFAOYSA-N" }, { "@id": "csc:ZEOVXNVKXIPWMS-UHFFFAOYSA-N" }, { "@id": "csc:NKTOLZVEWDHZMU-UHFFFAOYSA-N" }, { "@id": "csc:MVPPADPHJFYWMZ-UHFFFAOYSA-N" }, { "@id": "csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N" }, { "@id": "csc:WHXSMMKQMYFTQS-UHFFFAOYSA-N" }, { "@id": "csc:HYJSGOXICXYZGS-UHFFFAOYSA-N" }, { "@id": "csc:NQLVQOSNDJXLKG-UHFFFAOYSA-N" }, { "@id": "csc:QRUDEWIWKLJBPS-UHFFFAOYSA-N" }, { "@id": "csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N" }, { "@id": "csc:LELOWRISYMNNSU-UHFFFAOYSA-N" }, { "@id": "csc:RRVIAQKBTUQODI-UHFFFAOYSA-N" }, { "@id": "csc:HFPZCAJZSCWRBC-UHFFFAOYSA-N" }, { "@id": "csc:CPELXLSAUQHCOX-UHFFFAOYSA-M" }, { "@id": "csc:MQHNKCZKNAJROC-UHFFFAOYSA-N" }, { "@id": "csc:LAHWLEDBADHJGA-UHFFFAOYSA-N" }, { "@id": "csc:ZSDSQXJSNMTJDA-UHFFFAOYSA-N" }, { "@id": "csc:LHRCREOYAASXPZ-UHFFFAOYSA-N" }, { "@id": "csc:WBEJYOJJBDISQU-UHFFFAOYSA-N" }, { "@id": "csc:JLKIGFTWXXRPMT-UHFFFAOYSA-N" }, { "@id": "csc:YFBPRJGDJKVWAH-UHFFFAOYSA-N" }, { "@id": "csc:QUIMTLZDMCNYGY-UHFFFAOYSA-N" }, { "@id": "csc:OEBRKCOSUFCWJD-UHFFFAOYSA-N" }, { "@id": "csc:HFACYLZERDEVSX-UHFFFAOYSA-N" }, { "@id": "csc:BXNANOICGRISHX-UHFFFAOYSA-N" }, { "@id": "csc:FKNQFGJONOIPTF-UHFFFAOYSA-N" }, { "@id": "csc:IANUJLZYFUDJIH-UHFFFAOYSA-N" }, { "@id": "csc:LKPLKUMXSAEKID-UHFFFAOYSA-N" }, { "@id": "csc:LDVVMCZRFWMZSG-UHFFFAOYSA-N" }, { "@id": "csc:RHIROFAGUQOFLU-UHFFFAOYSA-N" }, { "@id": "csc:HOXINJBQVZWYGZ-UHFFFAOYSA-N" }, { "@id": "csc:XSTXAVWGXDQKEL-UHFFFAOYSA-N" }, { "@id": "csc:CKAPSXZOOQJIBF-UHFFFAOYSA-N" }, { "@id": "csc:XYBSIYMGXVUVGY-UHFFFAOYSA-N" }, { "@id": "csc:CYTYCFOTNPOANT-UHFFFAOYSA-N" }, { "@id": "csc:QWBBPBRQALCEIZ-UHFFFAOYSA-N" }, { "@id": "csc:VUNCWTMEJYMOOR-UHFFFAOYSA-N" }, { "@id": "csc:AGOYDEPGAOXOCK-KCBOHYOISA-N" }, { "@id": "csc:TXVHTIQJNYSSKO-UHFFFAOYSA-N" }, { "@id": "csc:ZOKXTWBITQBERF-UHFFFAOYSA-N" }, { "@id": "csc:FLKPEMZONWLCSK-UHFFFAOYSA-N" }, { "@id": "csc:RFFLAFLAYFXFSW-UHFFFAOYSA-N" }, { "@id": "csc:FJBFPHVGVWTDIP-UHFFFAOYSA-N" }, { "@id": "csc:JWBOIMRXGHLCPP-UHFFFAOYSA-N" }, { "@id": "csc:GATVIKZLVQHOMN-UHFFFAOYSA-N" }, { "@id": "csc:HORNXRXVQWOLPJ-UHFFFAOYSA-N" }, { "@id": "csc:QVLAWKAXOMEXPM-UHFFFAOYSA-N" }, { "@id": "csc:NTDQQZYCCIDJRK-UHFFFAOYSA-N" }, { "@id": "csc:MEBQXILRKZHVCX-UHFFFAOYSA-N" }, { "@id": "csc:HPNMFZURTQLUMO-UHFFFAOYSA-N" }, { "@id": "csc:KPHWPUGNDIVLNH-UHFFFAOYSA-M" }, { "@id": "csc:LGXVIGDEPROXKC-UHFFFAOYSA-N" }, { "@id": "csc:ULGZDMOVFRHVEP-RWJQBGPGSA-N" }, { "@id": "csc:XTAHLACQOVXINQ-UHFFFAOYSA-N" }, { "@id": "csc:MGWAVDBGNNKXQV-UHFFFAOYSA-N" }, { "@id": "csc:DCOPUUMXTXDBNB-UHFFFAOYSA-N" }, { "@id": "csc:GVEPBJHOBDJJJI-UHFFFAOYSA-N" }, { "@id": "csc:CTQNGGLPUBDAKN-UHFFFAOYSA-N" }, { "@id": "csc:DSRNRYQBBJQVCW-UHFFFAOYSA-N" }, { "@id": "csc:RELMFMZEBKVZJC-UHFFFAOYSA-N" }, { "@id": "csc:WCLNVRQZUKYVAI-UHFFFAOYSA-N" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-O" }, { "@id": "csc:KNKRKFALVUDBJE-UHFFFAOYSA-N" }, { "@id": "csc:LCCNCVORNKJIRZ-UHFFFAOYSA-N" }, { "@id": "csc:PXGOKWXKJXAPGV-UHFFFAOYSA-N" }, { "@id": "csc:NLYNUTMZTCLNOO-UHFFFAOYSA-N" }, { "@id": "csc:DEIGXXQKDWULML-UHFFFAOYSA-N" }, { "@id": "csc:PUYXTUJWRLOUCW-UHFFFAOYSA-N" }, { "@id": "csc:CWRYPZZKDGJXCA-UHFFFAOYSA-N" }, { "@id": "csc:OYPRJOBELJOOCE-UHFFFAOYSA-N" }, { "@id": "csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N" }, { "@id": "csc:VEORPZCZECFIRK-UHFFFAOYSA-N" }, { "@id": "csc:FMMWHPNWAFZXNH-UHFFFAOYSA-N" }, { "@id": "csc:XTEGARKTQYYJKE-UHFFFAOYSA-M" }, { "@id": "csc:AMFGTOFWMRQMEM-UHFFFAOYSA-N" }, { "@id": "csc:ZJMWRROPUADPEA-UHFFFAOYSA-N" }, { "@id": "csc:LHJGJYXLEPZJPM-UHFFFAOYSA-N" }, { "@id": "csc:WIDHRBRBACOVOY-UHFFFAOYSA-N" }, { "@id": "csc:PNVJTZOFSHSLTO-UHFFFAOYSA-N" }, { "@id": "csc:YMWUJEATGCHHMB-UHFFFAOYSA-N" }, { "@id": "csc:OCKPCBLVNKHBMX-UHFFFAOYSA-N" }, { "@id": "csc:FSPZPQQWDODWAU-UHFFFAOYSA-N" }, { "@id": "csc:NHNBFGGVMKEFGY-UHFFFAOYSA-N" }, { "@id": "csc:ZAIDIVBQUMFXEC-UHFFFAOYSA-N" }, { "@id": "csc:JHJOOSLFWRRSGU-UHFFFAOYSA-N" }, { "@id": "csc:NIQCNGHVCWTJSM-UHFFFAOYSA-N" }, { "@id": "csc:XMTQQYYKAHVGBJ-UHFFFAOYSA-N" }, { "@id": "csc:YWTYJOPNNQFBPC-UHFFFAOYSA-N" }, { "@id": "csc:AUHZEENZYGFFBQ-UHFFFAOYSA-N" }, { "@id": "csc:MWPLVEDNUUSJAV-UHFFFAOYSA-N" }, { "@id": "csc:RQVGAIADHNPSME-UHFFFAOYSA-N" }, { "@id": "csc:ODCWYMIRDDJXKW-UHFFFAOYSA-N" }, { "@id": "csc:XCSGPAVHZFQHGE-UHFFFAOYSA-N" }, { "@id": "csc:DSAJWYNOEDNPEQ-UHFFFAOYSA-N" }, { "@id": "csc:SCYULBFZEHDVBN-UHFFFAOYSA-N" }, { "@id": "csc:UBOXGVDOUJQMTN-UHFFFAOYSA-N" }, { "@id": "csc:FFGPTBGBLSHEPO-UHFFFAOYSA-N" }, { "@id": "csc:AMRQXHFXNZFDCH-VIFPVBQESA-N" }, { "@id": "csc:GVYLCNUFSHDAAW-UHFFFAOYSA-N" }, { "@id": "csc:STEPQTYSZVCJPV-UHFFFAOYSA-N" }, { "@id": "csc:YIVXMZJTEQBPQO-UHFFFAOYSA-N" }, { "@id": "csc:YTWXDQVNPCIEOX-UHFFFAOYSA-N" }, { "@id": "csc:HUWXDEQWWKGHRV-UHFFFAOYSA-N" }, { "@id": "csc:MQTOSJVFKKJCRP-OHJWJPDZSA-N" }, { "@id": "csc:KMAQZIILEGKYQZ-UHFFFAOYSA-N" }, { "@id": "csc:WRPIRSINYZBGPK-UHFFFAOYSA-N" }, { "@id": "csc:ZXVONLUNISGICL-UHFFFAOYSA-N" }, { "@id": "csc:JOOMJVFZQRQWKR-UHFFFAOYSA-N" }, { "@id": "csc:STJLVHWMYQXCPB-UHFFFAOYSA-N" }, { "@id": "csc:OWZPCEFYPSAJFR-UHFFFAOYSA-N" }, { "@id": "csc:SBPBAQFWLVIOKP-UHFFFAOYSA-N" }, { "@id": "csc:RLLPVAHGXHCWKJ-HKUYNNGSSA-N" }, { "@id": "csc:MZZBPDKVEFVLFF-UHFFFAOYSA-N" }, { "@id": "csc:MCWXGJITAZMZEV-UHFFFAOYSA-N" }, { "@id": "csc:SWFNPENEBHAHEB-UHFFFAOYSA-N" }, { "@id": "csc:DOFZAZXDOSGAJZ-UHFFFAOYSA-N" }, { "@id": "csc:OSOUNOBYRMOXQQ-UHFFFAOYSA-N" }, { "@id": "csc:JEYJJJXOFWNEHN-UHFFFAOYSA-N" }, { "@id": "csc:ZOXJGFHDIHLPTG-UHFFFAOYSA-N" }, { "@id": "csc:HSQFVBWFPBKHEB-UHFFFAOYSA-N" }, { "@id": "csc:IAKOZHOLGAGEJT-UHFFFAOYSA-N" }, { "@id": "csc:JLYXXMFPNIAWKQ-UHFFFAOYSA-N" }, { "@id": "csc:SXZSFWHOSHAKMN-UHFFFAOYSA-N" }, { "@id": "csc:YBGZDTIWKVFICR-JLHYYAGUSA-N" }, { "@id": "csc:JSFITYFUKSFPBZ-UHFFFAOYSA-N" }, { "@id": "csc:AAEVYOVXGOFMJO-UHFFFAOYSA-N" }, { "@id": "csc:PAAZPARNPHGIKF-UHFFFAOYSA-N" }, { "@id": "csc:ISEUFVQQFVOBCY-UHFFFAOYSA-N" }, { "@id": "csc:DEWLEGDTCGBNGU-UHFFFAOYSA-N" }, { "@id": "csc:FEWPCPCEGBPTAL-UHFFFAOYSA-N" }, { "@id": "csc:RZXIRSKYBISPGF-UHFFFAOYSA-N" }, { "@id": "csc:QWVGKYWNOKOFNN-UHFFFAOYSA-N" }, { "@id": "csc:JLYFCTQDENRSOL-UHFFFAOYSA-N" }, { "@id": "csc:JXCGFZXSOMJFOA-UHFFFAOYSA-N" }, { "@id": "csc:SXDBWCPKPHAZSM-UHFFFAOYSA-M" }, { "@id": "csc:LSKGFBJLYWXIOF-UHFFFAOYSA-N" }, { "@id": "csc:WYEHFWKAOXOVJD-UHFFFAOYSA-N" }, { "@id": "csc:HCHKCACWOHOZIP-UHFFFAOYSA-N" }, { "@id": "csc:YNQLUTRBYVCPMQ-UHFFFAOYSA-N" }, { "@id": "csc:FALCMQXTWHPRIH-UHFFFAOYSA-N" }, { "@id": "csc:FAXIJTUDSBIMHY-UHFFFAOYSA-N" }, { "@id": "csc:VEXZGXHMUGYJMC-UHFFFAOYSA-M" }, { "@id": "csc:VJYFKVYYMZPMAB-UHFFFAOYSA-N" }, { "@id": "csc:WUOBERCRSABHOT-UHFFFAOYSA-N" }, { "@id": "csc:AYOHIQLKSOJJQH-UHFFFAOYSA-N" }, { "@id": "csc:CHIFOSRWCNZCFN-UHFFFAOYSA-N" }, { "@id": "csc:XEEYBQQBJWHFJM-UHFFFAOYSA-N" }, { "@id": "csc:SBMIVUVRFPGOEB-UHFFFAOYSA-N" }, { "@id": "csc:UOAMTSKGCBMZTC-UHFFFAOYSA-N" }, { "@id": "csc:CTSLUCNDVMMDHG-UHFFFAOYSA-N" }, { "@id": "csc:RMPWIIKNWPVWNG-UHFFFAOYSA-N" }, { "@id": "csc:YXFVVABEGXRONW-UHFFFAOYSA-N" }, { "@id": "csc:BVKZGUZCCUSVTD-UHFFFAOYSA-L" }, { "@id": "csc:VHHHONWQHHHLTI-UHFFFAOYSA-N" }, { "@id": "csc:BIWJNBZANLAXMG-UHFFFAOYSA-N" }, { "@id": "csc:HOLHYSJJBXSLMV-UHFFFAOYSA-N" }, { "@id": "csc:BIXZHMJUSMUDOQ-UHFFFAOYSA-N" }, { "@id": "csc:SNGREZUHAYWORS-UHFFFAOYSA-N" }, { "@id": "csc:UOORRWUZONOOLO-OWOJBTEDSA-N" }, { "@id": "csc:ZQEIXNIJLIKNTD-UHFFFAOYSA-N" }, { "@id": "csc:XUIMIQQOPSSXEZ-UHFFFAOYSA-N" }, { "@id": "csc:YCLUIPQDHHPDJJ-UHFFFAOYSA-N" }, { "@id": "csc:LFULEKSKNZEWOE-UHFFFAOYSA-N" }, { "@id": "csc:FOXFZRUHNHCZPX-UHFFFAOYSA-N" }, { "@id": "csc:NSKIRYMHNFTRLR-UHFFFAOYSA-N" }, { "@id": "csc:CRQQGFGUEAVUIL-UHFFFAOYSA-N" }, { "@id": "csc:ZLIBICFPKPWGIZ-UHFFFAOYSA-N" }, { "@id": "csc:WSLDOOZREJYCGB-UHFFFAOYSA-N" }, { "@id": "csc:KCXVZYZYPLLWCC-UHFFFAOYSA-N" }, { "@id": "csc:HRPVXLWXLXDGHG-UHFFFAOYSA-N" }, { "@id": "csc:NPYPAHLBTDXSSS-UHFFFAOYSA-N" }, { "@id": "csc:LLYXJBROWQDVMI-UHFFFAOYSA-N" }, { "@id": "csc:ZCJPOPBZHLUFHF-UHFFFAOYSA-N" }, { "@id": "csc:OCHOKXCPKDPNQU-UHFFFAOYSA-N" }, { "@id": "csc:JNTHRSHGARDABO-UHFFFAOYSA-N" }, { "@id": "csc:LRWHHSXTGZSMSN-UHFFFAOYSA-N" }, { "@id": "csc:PBGKNXWGYQPUJK-UHFFFAOYSA-N" }, { "@id": "csc:WSFSSNUMVMOOMR-UHFFFAOYSA-N" }, { "@id": "csc:OVSKIKFHRZPJSS-UHFFFAOYSA-N" }, { "@id": "csc:RQVYBGPQFYCBGX-UHFFFAOYSA-N" }, { "@id": "csc:ISAVYTVYFVQUDY-UHFFFAOYSA-N" }, { "@id": "csc:UQRLKWGPEVNVHT-UHFFFAOYSA-N" }, { "@id": "csc:IBSQPLPBRSHTTG-UHFFFAOYSA-N" }, { "@id": "csc:XDDAORKBJWWYJS-UHFFFAOYSA-N" }, { "@id": "csc:NINIDFKCEFEMDL-UHFFFAOYSA-N" }, { "@id": "csc:GRPRVIYRYGLIJU-UHFFFAOYSA-N" }, { "@id": "csc:ATBAMAFKBVZNFJ-UHFFFAOYSA-N" }, { "@id": "csc:MXWJVTOOROXGIU-UHFFFAOYSA-N" }, { "@id": "csc:SUSRORUBZHMPCO-UHFFFAOYSA-N" }, { "@id": "csc:PHNUZKMIPFFYSO-UHFFFAOYSA-N" }, { "@id": "csc:ISPYQTSUDJAMAB-UHFFFAOYSA-N" }, { "@id": "csc:VEZCTZWLJYWARH-UHFFFAOYSA-N" }, { "@id": "csc:YACLQRRMGMJLJV-UHFFFAOYSA-N" }, { "@id": "csc:FOIBFBMSLDGNHL-UHFFFAOYSA-N" }, { "@id": "csc:MYSWGUAQZAJSOK-UHFFFAOYSA-N" }, { "@id": "csc:CAHQGWAXKLQREW-UHFFFAOYSA-N" }, { "@id": "csc:BVKZGUZCCUSVTD-UHFFFAOYSA-M" }, { "@id": "csc:CJJOSEISRRTUQB-UHFFFAOYSA-N" }, { "@id": "csc:PBKONEOXTCPAFI-UHFFFAOYSA-N" }, { "@id": "csc:IRIAEXORFWYRCZ-UHFFFAOYSA-N" }, { "@id": "csc:WLFDQEVORAMCIM-UHFFFAOYSA-N" }, { "@id": "csc:NLZUEZXRPGMBCV-UHFFFAOYSA-N" }, { "@id": "csc:WEBQKRLKWNIYKK-UHFFFAOYSA-N" }, { "@id": "csc:MQXQVCLAUDMCEF-CWLIKTDRSA-N" }, { "@id": "csc:HXGDTGSAIMULJN-UHFFFAOYSA-N" }, { "@id": "csc:NWWZPOKUUAIXIW-DHZHZOJOSA-N" }, { "@id": "csc:BZLVMXJERCGZMT-UHFFFAOYSA-N" }, { "@id": "csc:KCXMKQUNVWSEMD-UHFFFAOYSA-N" }, { "@id": "csc:QMHAHUAQAJVBIW-UHFFFAOYSA-N" }, { "@id": "csc:BRLQWZUYTZBJKN-UHFFFAOYSA-N" }, { "@id": "csc:SXQBHARYMNFBPS-UHFFFAOYSA-N" }, { "@id": "csc:BBEAQIROQSPTKN-UHFFFAOYSA-N" }, { "@id": "csc:HFZWRUODUSTPEG-UHFFFAOYSA-N" } ], "@type": "skos:Collection", "skos:prefLabel": { "@language": "nl", "@value": "Chemische stoffen die in water gemeten worden." }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:IUTPYMGCWINGEY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "PCB118", "skos:altLabel": [ { "@language": "nl", "@value": "pcb 118" }, { "@language": "nl", "@value": "2,3',4,4',5-pentachloorbifenyl (pcb118)" }, { "@language": "nl", "@value": "PCB 118" } ], "rdfs:seeAlso": { "@id": "compound:35823" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "2,3',4,4',5-pentachloorbifenyl" }, "dbp:inchikey": "IUTPYMGCWINGEY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:formula": "C12H5Cl5", "dbo:pubchem": { "@value": "35823", "@type": "xsd:int" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "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", "skos:exactMatch": { "@id": "wise:CAS_31508-00-6" }, "dbo:casNumber": "31508-00-6" }, { "@id": "csc:KFUSEUYYWQURPO-OWOJBTEDSA-N", "dbo:casNumber": [ "156-60-5", "43695-79-0", "540-59-0" ], "dbo:pubchem": { "@value": "638186", "@type": "xsd:int" }, "skos:exactMatch": [ { "@id": "wise:CAS_540-59-0" }, { "@id": "wise:CAS_156-60-5" } ], "dbo:smiles": "C(=CCl)Cl", "skos:altLabel": [ { "@language": "nl", "@value": "trans-1,2-dichlooretheen" }, { "@language": "nl", "@value": "1,2-dichlooretheen, cis" }, { "@language": "nl", "@value": "1,2-dichloorethyleen " }, { "@language": "nl", "@value": "1,2-dichlooretheen,trans" }, { "@language": "nl", "@value": "1,2-dichloorethyleen" } ], "skos:notation": [ "12DClC2e", "t12DClC2e" ], "dbo:formula": "C2H2Cl2", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "rdfs:seeAlso": { "@id": "compound:638186" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "KFUSEUYYWQURPO-OWOJBTEDSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichlooretheen" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1+", "dbo:iupacName": { "@language": "en", "@value": "['1,2-Dichloroethene', '(E)-1,2-Dichloroethene']" } }, { "@id": "csc:PXBRQCKWGAHEHS-UHFFFAOYSA-N", "skos:notation": "CFK12", "dbo:casNumber": [ "62185-71-1", "75-71-8", "185009-39-6" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbp:inchikey": "PXBRQCKWGAHEHS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6391" }, "skos:exactMatch": { "@id": "wise:CAS_75-71-8" }, "dbo:formula": "CCl2F2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "dichloro-difluoromethane" }, "dbo:pubchem": { "@value": "6391", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/CCl2F2/c2-1(3,4)5", "dbo:smiles": "C(F)(F)(Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0004521" }, "skos:altLabel": [ { "@language": "nl", "@value": "dichloordifluormethaan" }, { "@language": "nl", "@value": "dichloordifluormethaan (cfk12)" } ], "skos:prefLabel": { "@language": "nl", "@value": "dichloordifluormethaan " } }, { "@id": "csc:UFHFLCQGNIYNRP-JMRXTUGHSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "H2", "dbo:iupacName": { "@language": "en", "@value": "Tritium" }, "rdfs:seeAlso": { "@id": "compound:24824" }, "skos:exactMatch": { "@id": "wise:CAS_10028-17-8" }, "skos:broader": { "@id": "csc:CHEMONTID_0000552" }, "dbo:smiles": "[HH]", "dbo:inchi": "InChI=1S/H2/h1H/i1+2T", "skos:notation": "H3", "dbo:casNumber": "10028-17-8", "skos:prefLabel": { "@language": "nl", "@value": "tritium" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "24824", "@type": "xsd:int" }, "dbp:inchikey": "UFHFLCQGNIYNRP-JMRXTUGHSA-N" }, { "@id": "csc:VGVRPFIJEJYOFN-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H", "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "skos:exactMatch": { "@id": "wise:CAS_58-90-2" }, "rdfs:seeAlso": { "@id": "compound:6028" }, "dbo:casNumber": [ "58-90-2", "12698-64-5" ], "skos:notation": "2346T4ClFol", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)O)Cl", "dbo:formula": "C6H2Cl4O", "skos:prefLabel": { "@language": "nl", "@value": "2,3,4,6-tetrachloorfenol" }, "dbo:iupacName": { "@language": "en", "@value": "2,3,4,6-Tetrachlorophenol" }, "dbo:pubchem": { "@value": "6028", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VGVRPFIJEJYOFN-UHFFFAOYSA-N" }, { "@id": "csc:XFXPMWWXUTWYJX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "[C-]#N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "373-51-3", "57-12-5" ], "skos:notation": "CN", "skos:broader": { "@id": "csc:CHEMONTID_0000553" }, "dbo:iupacName": { "@language": "en", "@value": "Cyanide" }, "skos:exactMatch": { "@id": "wise:CAS_57-12-5" }, "dbo:pubchem": { "@value": "5975", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5975" }, "skos:prefLabel": { "@language": "nl", "@value": "cyanide" }, "dbo:formula": "CN-", "dbp:inchikey": "XFXPMWWXUTWYJX-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/CN/c1-2/q-1" }, { "@id": "csc:YVGGHNCTFXOJCH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:3036" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbp:inchikey": "YVGGHNCTFXOJCH-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "4,4'-dichloordifenyltrichloorethaan" }, { "@language": "nl", "@value": "p,p'-ddt" }, { "@language": "nl", "@value": "p,p’-ddt" } ], "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:casNumber": "50-29-3", "dbo:pubchem": { "@value": "3036", "@type": "xsd:int" }, "dbo:formula": "C14H9Cl5", "skos:prefLabel": { "@language": "nl", "@value": "pp'dichloordifenyltrichloorethaan" }, "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "44DDT", "dbo:smiles": "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl", "skos:exactMatch": { "@id": "wise:CAS_50-29-3" } }, { "@id": "csc:HCWZEPKLWVAEOV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:37248" }, "dbo:inchi": "InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/h1-6H", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_35693-99-3" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',5,5'-tetrachloorbifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-dichloro-2-(2,5-dichlorophenyl)benzene" }, "skos:altLabel": [ { "@language": "nl", "@value": "pcb 52" }, { "@language": "nl", "@value": "pcb-52" }, { "@language": "nl", "@value": "PCB-52" }, { "@language": "nl", "@value": "2,2',5,5'-tetrachloorbifenyl (pcb52)" } ], "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "37248", "@type": "xsd:int" }, "dbo:formula": "C12H6Cl4", "dbp:inchikey": "HCWZEPKLWVAEOV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)Cl)Cl)Cl", "dbo:casNumber": "35693-99-3", "skos:notation": "PCB52" }, { "@id": "csc:RQNWIZPPADIBDY-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'Arseen en de verbindingen daarvan, uitgedrukt als arseen (As)'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, { "@language": "nl", "@value": "VLAR bijl. II 2.5.8 'arseen'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'" }, { "@language": "nl", "@value": "VLAR III (D3) 'AsH3'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'As'" }, { "@language": "nl", "@value": "VLAR (D2) 'arseen'" }, { "@language": "nl", "@value": "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'" } ], "dbo:smiles": "[As]", "dbo:inchi": "InChI=1S/As", "dbp:inchikey": "RQNWIZPPADIBDY-UHFFFAOYSA-N", "dbo:casNumber": [ "55624-62-9", "7440-38-2", "39277-51-5", "7784-42-1" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Arsenic" }, "skos:altLabel": { "@language": "nl", "@value": "arseen (As)" }, "rdfs:seeAlso": { "@id": "compound:5359596" }, "skos:broader": { "@id": "csc:CHEMONTID_0000431" }, "skos:notation": "As", "skos:exactMatch": { "@id": "wise:CAS_7440-38-2" }, "dbo:formula": "As", "dbo:pubchem": { "@value": "5359596", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "arseen" }, "skos:definition": { "@language": "nl", "@value": "arseen en arseenverbindingen, uitgedrukt als arseen (As)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:IGFHQQFPSIBGKE-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:1752" }, "dbo:formula": "C15H24O", "dbo:casNumber": [ "104-40-5", "68081-86-7", "29832-11-9" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-nonylfenol" }, "skos:notation": "4C9yFol", "skos:exactMatch": { "@id": "wise:CAS_104-40-5" }, "dbo:inchi": "InChI=1S/C15H24O/c1-2-3-4-5-6-7-8-9-14-10-12-15(16)13-11-14/h10-13,16H,2-9H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "4-NONYLPHENOL" }, "skos:altLabel": { "@language": "nl", "@value": "4-n-nonylfenol" }, "dbo:smiles": "CCCCCCCCCC1=CC=C(C=C1)O", "dbo:pubchem": { "@value": "1752", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004646" }, "dbp:inchikey": "IGFHQQFPSIBGKE-UHFFFAOYSA-N" }, { "@id": "csc:QSHDDOUJBYECFT-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "kwik (Hg)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'kwik en kwikverbindingen, uitgedrukt als kwik (Hg)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'Kwik en zijn verbindingen, uitgedrukt in Hg'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Hg'" }, { "@language": "nl", "@value": "VLAR II (D2) 'kwik'" }, { "@language": "nl", "@value": "VLAR III (D3 art. 3.12.3.1.6) 'kwik'" }, { "@language": "nl", "@value": "VLAR III (D3) 'kwik en zijn verbindingen, uitgedrukt als kwik (Hg)'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.8.4 'totaal gasvormig kwik'" }, { "@language": "nl", "@value": "VLAR II (D5) 'kwik en zijn verbindingen' en 'kwik en kwikverbindingen, uitgedrukt als kwik(Hg)' en 'kwik en zijn verbindingen (uitgedrukt in Hg)'" } ], "skos:definition": { "@language": "nl", "@value": "kwik en kwikverbindingen, uitgedrukt als kwik (Hg)" }, "dbo:casNumber": [ "123720-03-6", "51887-47-9", "149038-91-5", "92355-34-5", "8030-64-6", "92786-62-4", "7439-97-6" ], "dbo:smiles": "[Hg]", "dbo:inchi": "InChI=1S/Hg", "dbo:pubchem": { "@value": "23931", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:23931" }, "dbo:formula": "Hg", "dbo:iupacName": { "@language": "en", "@value": "Mercury" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "QSHDDOUJBYECFT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "kwik" }, "skos:notation": "Hg", "skos:exactMatch": { "@id": "wise:CAS_7439-97-6" } }, { "@id": "csc:PTJQVJQAZSLKJO-UHFFFAOYSA-N", "skos:notation": "HxBr11bFy", "dbo:pubchem": { "@value": "154482", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003954" }, "skos:exactMatch": { "@id": "wise:CAS_36355-01-8" }, "rdfs:seeAlso": { "@id": "compound:154482" }, "dbo:formula": "C12H4Br6", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "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:casNumber": [ "36355-01-8", "82865-89-2" ], "skos:prefLabel": { "@language": "nl", "@value": "hexabroom-1,1'-bifenyl" }, "dbp:inchikey": "PTJQVJQAZSLKJO-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C(=C1C2=C(C(=C(C=C2)Br)Br)Br)Br)Br)Br" }, { "@id": "csc:LLWADFLAOKUBDR-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)" }, { "@language": "nl", "@value": "4-(4-chloor-2-methylfenoxy)boterzuur" } ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "7207", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-(4-Chloro-2-methylphenoxy)butanoic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-4-chloorfenoxyboterzuur" }, "dbo:casNumber": "94-81-5", "rdfs:seeAlso": { "@id": "compound:7207" }, "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O", "dbo:inchi": "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)", "dbo:formula": "C11H13ClO3", "skos:exactMatch": { "@id": "wise:CAS_94-81-5" }, "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbp:inchikey": "LLWADFLAOKUBDR-UHFFFAOYSA-N", "skos:notation": "MCPB" }, { "@id": "csc:SMYMJHWAQXWPDB-UHFFFAOYSA-N", "dbo:formula": "C8H5Cl3O3", "skos:notation": "245T", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)OCC(=O)O", "dbo:pubchem": { "@value": "1480", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "(2,4,5-trichloorfenoxy)azijnzuur (2,4,5-t)" }, "skos:altLabel": [ { "@language": "nl", "@value": "(2,4,5-trichloorfenoxy)-azijnzuur (2,4,5-t)" }, { "@language": "nl", "@value": "2,4,5-trichloorfenoxyazijnzuur" } ], "dbo:inchi": "InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)", "dbo:iupacName": { "@language": "en", "@value": "2-(2,4,5-trichlorophenoxy)acetic acid" }, "skos:exactMatch": { "@id": "wise:CAS_93-76-5" }, "rdfs:seeAlso": { "@id": "compound:1480" }, "skos:broader": { "@id": "csc:CHEMONTID_0004525" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "SMYMJHWAQXWPDB-UHFFFAOYSA-N", "dbo:casNumber": "93-76-5" }, { "@id": "csc:AQHHHDLHHXJYJD-UHFFFAOYSA-N", "dbo:formula": "C16H21NO2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "propanolol" }, "dbo:iupacName": { "@language": "en", "@value": "1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol" }, "dbo:casNumber": [ "13013-17-7", "525-66-6" ], "skos:altLabel": { "@language": "nl", "@value": "propranolol" }, "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O", "dbp:inchikey": "AQHHHDLHHXJYJD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "4946", "@type": "xsd:int" }, "skos:notation": "propnll", "dbo:inchi": "InChI=1S/C16H21NO2/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", "skos:exactMatch": { "@id": "wise:CAS_525-66-6" }, "rdfs:seeAlso": { "@id": "compound:4946" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" } }, { "@id": "csc:URLKBWYHVLBVBO-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": [ { "@language": "nl", "@value": "p-xyleen" }, { "@language": "nl", "@value": "1,4-xyleen" }, { "@language": "nl", "@value": "1,4-Dimethylbenzeen" } ], "skos:broader": { "@id": "csc:CHEMONTID_0004211" }, "dbo:formula": "C8H10", "rdfs:seeAlso": { "@id": "compound:7809" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'xylenen'" }, "skos:notation": "14xyln", "dbp:inchikey": "URLKBWYHVLBVBO-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_106-42-3" }, "skos:prefLabel": { "@language": "nl", "@value": "para-xyleen" }, "dbo:casNumber": [ "68650-36-2", "106-42-3", "68411-39-2" ], "dbo:inchi": "InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,4-Dimethylbenzene" }, "dbo:pubchem": { "@value": "7809", "@type": "xsd:int" }, "dbo:smiles": "CC1=CC=C(C=C1)C" }, { "@id": "csc:NBIIXXVUZAFLBC-UHFFFAOYSA-K", "dbo:iupacName": { "@language": "en", "@value": "phosphate" }, "rdfs:seeAlso": { "@id": "compound:1061" }, "skos:prefLabel": { "@language": "nl", "@value": "orthofosfaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001073" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "1061", "@type": "xsd:int" }, "dbp:inchikey": "NBIIXXVUZAFLBC-UHFFFAOYSA-K", "dbo:inchi": "InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[O-]P(=O)([O-])[O-]", "dbo:formula": "O4P-3", "dbo:casNumber": [ "68891-72-5", "14265-44-2", "264888-19-9" ], "skos:altLabel": { "@language": "nl", "@value": "fosfaat" }, "skos:notation": "PO4", "skos:exactMatch": { "@id": "wise:CAS_14265-44-2" } }, { "@id": "csc:NFACJZMKEDPNKN-UHFFFAOYSA-N", "dbo:casNumber": [ "56042-25-2", "52-68-6", "50924-44-2", "37333-09-8", "66758-31-4" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C4H8Cl3O4P/c1-10-12(9,11-2)3(8)4(5,6)7/h3,8H,1-2H3", "dbp:inchikey": "NFACJZMKEDPNKN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004482" }, "dbo:pubchem": { "@value": "5853", "@type": "xsd:int" }, "dbo:formula": "C4H8Cl3O4P", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "trichloorfon" }, "skos:exactMatch": { "@id": "wise:CAS_52-68-6" }, "rdfs:seeAlso": { "@id": "compound:5853" }, "dbo:smiles": "COP(=O)(C(C(Cl)(Cl)Cl)O)OC", "dbo:iupacName": { "@language": "en", "@value": "['hydroxy-dimethoxy-(2,2,2-trichloro-1-hydroxyethyl)phosphanium', '2,2,2-trichloro-1-dimethoxyphosphorylethanol']" }, "skos:notation": "TClfn" }, { "@id": "csc:HEFNNWSXXWATRW-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[4-(2-methylpropyl)phenyl]propanoic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H18O2", "dbp:inchikey": "HEFNNWSXXWATRW-UHFFFAOYSA-N", "dbo:casNumber": [ "15687-27-1", "58560-75-1" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)CC1=CC=C(C=C1)C(C)C(=O)O", "skos:notation": "ibpfn", "dbo:inchi": "InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)", "skos:broader": { "@id": "csc:CHEMONTID_0002551" }, "rdfs:seeAlso": { "@id": "compound:3672" }, "skos:prefLabel": { "@language": "nl", "@value": "ibuprofen" }, "skos:exactMatch": { "@id": "wise:CAS_15687-27-1" }, "dbo:pubchem": { "@value": "3672", "@type": "xsd:int" } }, { "@id": "csc:LINPIYWFGCPVIE-UHFFFAOYSA-N", "dbo:casNumber": "88-06-2", "dbo:iupacName": { "@language": "en", "@value": "2,4,6-Trichlorophenol" }, "rdfs:seeAlso": { "@id": "compound:6914" }, "dbo:formula": "C6H3Cl3O", "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "dbp:inchikey": "LINPIYWFGCPVIE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C1=C(C=C(C(=C1Cl)O)Cl)Cl", "skos:exactMatch": { "@id": "wise:CAS_88-06-2" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4,6-trichloorfenol" }, "skos:notation": "246TClFol", "dbo:pubchem": { "@value": "6914", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H" }, { "@id": "csc:WHHGLZMJPXIBIX-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-(2,3,4,5,6-pentabromophenoxy)benzene" }, "skos:altLabel": [ { "@language": "nl", "@value": "decabroomdifenylether (bde209)" }, { "@language": "nl", "@value": "bde 209" } ], "dbp:inchikey": "WHHGLZMJPXIBIX-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_1163-19-5" }, "dbo:formula": "C12Br10O", "dbo:pubchem": { "@value": "14410", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,4',5,5',6,6'-decabroomdiphenylether" }, "dbo:casNumber": [ "1163-19-5", "109945-70-2", "145538-74-5" ], "dbo:smiles": "C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br", "rdfs:seeAlso": { "@id": "compound:14410" }, "skos:notation": "PBDE209", "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", "skos:broader": { "@id": "csc:CHEMONTID_0001845" } }, { "@id": "csc:KAATUXNTWXVJKI-UHFFFAOYSA-N", "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:smiles": "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Cl)Cl)C", "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", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C22H19Cl2NO3", "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "skos:notation": "cypmtn", "skos:prefLabel": { "@language": "nl", "@value": "cypermethrin" }, "rdfs:seeAlso": { "@id": "compound:2912" }, "dbo:pubchem": { "@value": "2912", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_52315-07-8" }, "dbo:iupacName": { "@language": "en", "@value": "[cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KAATUXNTWXVJKI-UHFFFAOYSA-N" }, { "@id": "csc:JHBKHLUZVFWLAG-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7270", "@type": "xsd:int" }, "dbo:formula": "C6H2Cl4", "dbp:inchikey": "JHBKHLUZVFWLAG-UHFFFAOYSA-N", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)Cl", "dbo:inchi": "InChI=1S/C6H2Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H", "dbo:casNumber": [ "12408-10-5", "95-94-3", "63697-22-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_95-94-3" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:7270" }, "skos:altLabel": { "@language": "nl", "@value": "tetrachloorbenzeen" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2,4,5-tetrachloorbenzeen" }, "skos:notation": [ "T4ClBen", "1245T4ClBen" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-Tetrachlorobenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" } }, { "@id": "csc:GBAWQJNHVWMTLU-UHFFFAOYSA-N", "dbo:formula": "C9H12ClO4P", "skos:exactMatch": { "@id": "wise:CAS_23560-59-0" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "77107-77-8", "23560-59-0" ], "rdfs:seeAlso": { "@id": "compound:62773" }, "dbo:pubchem": { "@value": "62773", "@type": "xsd:int" }, "dbo:smiles": "COP(=O)(OC)OC1=C(C2C1CC=C2)Cl", "skos:prefLabel": { "@language": "nl", "@value": "heptenofos" }, "dbo:inchi": "InChI=1S/C9H12ClO4P/c1-12-15(11,13-2)14-9-7-5-3-4-6(7)8(9)10/h3-4,6-7H,5H2,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0003459" }, "dbo:iupacName": { "@language": "en", "@value": "(6-chloro-7-bicyclo[3.2.0]hepta-3,6-dienyl) dimethyl phosphate" }, "skos:notation": "heptnfs", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "GBAWQJNHVWMTLU-UHFFFAOYSA-N" }, { "@id": "csc:UOCLXMDMGBRAIB-UHFFFAOYSA-N", "dbp:inchikey": "UOCLXMDMGBRAIB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6278", "@type": "xsd:int" }, "dbo:casNumber": [ "71-55-6", "74552-83-3" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(Cl)(Cl)Cl", "dbo:inchi": "InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3", "dbo:iupacName": { "@language": "en", "@value": "1,1,1-Trichloroethane" }, "rdfs:seeAlso": { "@id": "compound:6278" }, "skos:exactMatch": { "@id": "wise:CAS_71-55-6" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR II Art. 5.4.3.1.4" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H3Cl3", "skos:prefLabel": { "@language": "nl", "@value": "1,1,1-trichloorethaan" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:notation": "111TClC2a" }, { "@id": "csc:IROINLKCQGIITA-UHFFFAOYSA-N", "dbp:inchikey": "IROINLKCQGIITA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "N-tert-butyl-N'-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine" }, "dbo:pubchem": { "@value": "13450", "@type": "xsd:int" }, "skos:notation": "terbtn", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "886-50-0", "skos:altLabel": { "@language": "nl", "@value": "terbutrin" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "terbutryn" }, "dbo:smiles": "CCNC1=NC(=NC(=N1)SC)NC(C)(C)C", "dbo:formula": "C10H19N5S", "dbo:inchi": "InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)", "rdfs:seeAlso": { "@id": "compound:13450" }, "skos:broader": { "@id": "csc:CHEMONTID_0004735" }, "skos:exactMatch": { "@id": "wise:CAS_886-50-0" } }, { "@id": "csc:AAPVQEMYVNZIOO-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "87695-43-0", "6749-25-3", "1031-07-8" ], "dbo:smiles": "C1C2C(COS(=O)(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbo:inchi": "InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda6-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide" }, "skos:exactMatch": { "@id": "wise:CAS_1031-07-8" }, "skos:prefLabel": { "@language": "nl", "@value": "endosulfansulfaat" }, "dbp:inchikey": "AAPVQEMYVNZIOO-UHFFFAOYSA-N", "skos:notation": "endsfSO4", "rdfs:seeAlso": { "@id": "compound:13940" }, "dbo:pubchem": { "@value": "13940", "@type": "xsd:int" }, "dbo:formula": "C9H6Cl6O4S", "skos:broader": { "@id": "csc:CHEMONTID_0001184" } }, { "@id": "csc:XAGFODPZIPBFFR-UHFFFAOYSA-N", "dbo:casNumber": [ "39302-71-1", "182260-45-3", "39332-62-2", "37202-64-5", "12766-45-9", "113962-66-6", "80341-19-1", "7429-90-5", "91728-14-2" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "XAGFODPZIPBFFR-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:5359268" }, "skos:exactMatch": { "@id": "wise:CAS_7429-90-5" }, "dbo:inchi": "InChI=1S/Al", "skos:notation": "Al", "dbo:pubchem": { "@value": "5359268", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "aluminium" }, "dbo:smiles": "[Al]", "dbo:iupacName": { "@language": "en", "@value": "ALUMINUM" }, "dbo:formula": "Al", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:UFWIBTONFRDIAS-UHFFFAOYSA-N", "dbo:casNumber": [ "91-20-3", "68412-25-9", "72931-45-4" ], "dbo:pubchem": { "@value": "931", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "dbo:iupacName": { "@language": "en", "@value": "NAPHTHALENE" }, "dbo:inchi": "InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H", "skos:notation": "Naf", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbp:inchikey": "UFWIBTONFRDIAS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "naftaleen" }, "rdfs:seeAlso": { "@id": "compound:931" }, "skos:prefLabel": { "@language": "nl", "@value": "naftaleen " }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_91-20-3" }, "dbo:smiles": "C1=CC=C2C=CC=CC2=C1", "dbo:formula": "C10H8" }, { "@id": "csc:CSHWQDPOILHKBI-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_198-55-0" }, "skos:notation": "Pe", "rdfs:seeAlso": { "@id": "compound:9142" }, "dbp:inchikey": "CSHWQDPOILHKBI-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H", "dbo:iupacName": { "@language": "en", "@value": "Perylene" }, "dbo:casNumber": [ "77392-71-3", "198-55-0" ], "dbo:formula": "C20H12", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "9142", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "skos:prefLabel": { "@language": "nl", "@value": "peryleen" }, "dbo:smiles": "C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2" }, { "@id": "csc:WCXDHFDTOYPNIE-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "135410-20-7", "160430-64-8" ], "dbo:smiles": "CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl", "skos:notation": "actmpd", "skos:exactMatch": { "@id": "wise:CAS_135410-20-7" }, "dbo:pubchem": { "@value": "213021", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "acetamiprid" }, "skos:broader": { "@id": "csc:CHEMONTID_0004532" }, "dbp:inchikey": "WCXDHFDTOYPNIE-UHFFFAOYSA-N", "dbo:formula": "C10H11ClN4", "rdfs:seeAlso": { "@id": "compound:213021" }, "dbo:iupacName": { "@language": "en", "@value": "N-[(6-chloropyridin-3-yl)methyl]-N'-cyano-N-methylethanimidamide" } }, { "@id": "csc:ZTMKADLOSYKWCA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004161" }, "skos:prefLabel": { "@language": "nl", "@value": "lenacil" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_2164-08-1" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C13H18N2O2", "skos:notation": "lencl", "dbo:smiles": "C1CCC(CC1)N2C(=O)C3=C(CCC3)NC2=O", "dbo:pubchem": { "@value": "16559", "@type": "xsd:int" }, "dbp:inchikey": "ZTMKADLOSYKWCA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:16559" }, "dbo:inchi": "InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)", "dbo:casNumber": "2164-08-1", "dbo:iupacName": { "@language": "en", "@value": "3-cyclohexyl-1,5,6,7-tetrahydrocyclopenta[e]pyrimidine-2,4-dione" } }, { "@id": "csc:HEDRZPFGACZZDS-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "67-66-3", "8013-54-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0004160" }, "dbo:pubchem": { "@value": "6212", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": ", (syn: trichloormethaan)" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'trichloormethaan'" } ], "rdfs:seeAlso": { "@id": "compound:6212" }, "skos:notation": "TClC1a", "skos:exactMatch": { "@id": "wise:CAS_67-66-3" }, "dbo:smiles": "C(Cl)(Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "trichloormethaan" }, "dbo:formula": "CHCl3", "skos:altLabel": [ { "@language": "nl", "@value": "chloroform" }, { "@language": "nl", "@value": "trichloormethaan (chloroform)" } ], "dbo:iupacName": { "@language": "en", "@value": "Chloroform" }, "dbp:inchikey": "HEDRZPFGACZZDS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/CHCl3/c2-1(3)4/h1H" }, { "@id": "csc:RYHBNJHYFVUHQT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "31275", "@type": "xsd:int" }, "dbo:casNumber": [ "28347-91-3", "28347-88-8", "123-91-1", "54841-74-6", "39449-24-6" ], "dbo:formula": "C4H8O2", "skos:notation": "14DOxan", "dbo:inchi": "InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1,4-dioxaan" }, "rdfs:seeAlso": { "@id": "compound:31275" }, "dbp:inchikey": "RYHBNJHYFVUHQT-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,4-Dioxane" }, "skos:exactMatch": { "@id": "wise:CAS_123-91-1" }, "skos:broader": { "@id": "csc:CHEMONTID_0001313" }, "dbo:smiles": "C1COCCO1", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" } }, { "@id": "csc:ZUVPLKVDZNDZCM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-2-methylaniline" }, "dbp:inchikey": "ZUVPLKVDZNDZCM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6894", "@type": "xsd:int" }, "dbo:casNumber": "87-60-5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_87-60-5" }, "rdfs:seeAlso": { "@id": "compound:6894" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C7H8ClN/c1-5-6(8)3-2-4-7(5)9/h2-4H,9H2,1H3", "dbo:formula": "C7H8ClN", "dbo:iupacName": { "@language": "en", "@value": "3-Chloro-2-methylaniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "dbo:smiles": "CC1=C(C=CC=C1Cl)N", "skos:notation": "3Cl2C1yAn" }, { "@id": "csc:AHJKRLASYNVKDZ-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "4,4'-dichloordifenyldichloorethaan" }, { "@language": "nl", "@value": "pp'dichloordifenyldichloorethaan" } ], "dbp:inchikey": "AHJKRLASYNVKDZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "44DDD", "skos:prefLabel": { "@language": "nl", "@value": "p,p’-ddd" }, "dbo:pubchem": { "@value": "6294", "@type": "xsd:int" }, "dbo:casNumber": "72-54-8", "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", "skos:exactMatch": { "@id": "wise:CAS_72-54-8" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:smiles": "C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:6294" }, "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene" }, "dbo:formula": "C14H10Cl4" }, { "@id": "csc:MEFQWPUMEMWTJP-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C7H5Cl2FN2O3", "skos:exactMatch": { "@id": "wise:CAS_69377-81-7" }, "skos:broader": { "@id": "csc:CHEMONTID_0003971" }, "dbo:inchi": "InChI=1S/C7H5Cl2FN2O3/c8-3-5(11)4(9)7(12-6(3)10)15-1-2(13)14/h1H2,(H2,11,12)(H,13,14)", "dbo:casNumber": "69377-81-7", "dbo:smiles": "C(C(=O)O)OC1=NC(=C(C(=C1Cl)N)Cl)F", "dbo:iupacName": { "@language": "en", "@value": "2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetic acid" }, "skos:notation": "flurOxpr", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "fluroxypyr" }, "dbp:inchikey": "MEFQWPUMEMWTJP-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:50465" }, "dbo:pubchem": { "@value": "50465", "@type": "xsd:int" } }, { "@id": "csc:FIAXCDIQXHJNIX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001098" }, "skos:exactMatch": { "@id": "wise:CAS_85-22-3" }, "rdfs:seeAlso": { "@id": "compound:6800" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "FIAXCDIQXHJNIX-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6800", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "pentabroomethylbenzeen" }, "skos:notation": "2345PeBrC2y", "dbo:inchi": "InChI=1S/C8H5Br5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H2,1H3", "dbo:formula": "C8H5Br5", "skos:prefLabel": { "@language": "nl", "@value": "2,3,4,5,6-pentabroomethylbenzeen" }, "dbo:smiles": "CCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br", "dbo:casNumber": "85-22-3", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-ethylbenzene" } }, { "@id": "csc:FHIVAFMUCKRCQO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "3017", "@type": "xsd:int" }, "dbo:formula": "C12H21N2O3PS", "dbo:casNumber": [ "27936-40-9", "65863-03-8", "333-41-5", "30583-38-1" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:exactMatch": { "@id": "wise:CAS_333-41-5" }, "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", "dbp:inchikey": "FHIVAFMUCKRCQO-UHFFFAOYSA-N", "dbo:smiles": "CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C(C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004771" }, "dbo:iupacName": { "@language": "en", "@value": "diethoxy-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxy-sulfanylidenephosphorane" }, "skos:notation": "Daznn", "skos:prefLabel": { "@language": "nl", "@value": "diazinon" }, "rdfs:seeAlso": { "@id": "compound:3017" } }, { "@id": "csc:ZDYJWDIWLRZXDB-UHFFFAOYSA-N", "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", "skos:prefLabel": { "@language": "nl", "@value": "2,4'-dichloordifenyldichlooretheen" }, "skos:notation": "24DDE", "skos:exactMatch": { "@id": "wise:CAS_3424-82-6" }, "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-[2,2-dichloro-1-(2-chlorophenyl)ethenyl]benzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "3424-82-6", "dbp:inchikey": "ZDYJWDIWLRZXDB-UHFFFAOYSA-N", "dbo:formula": "C14H8Cl4", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:altLabel": [ { "@language": "nl", "@value": "o,p’-dde" }, { "@language": "nl", "@value": "op'dichloordifenyldichlooretheen" } ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:246598" }, "dbo:pubchem": { "@value": "246598", "@type": "xsd:int" }, "dbo:smiles": "C1=CC=C(C(=C1)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl" }, { "@id": "csc:MZHCENGPTKEIGP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "7547-66-2", "120-36-5" ], "skos:altLabel": [ { "@language": "nl", "@value": "2,4-dichloorfenoxypropionzuur" }, { "@language": "nl", "@value": "dichlorprop" } ], "dbo:formula": "C9H8Cl2O3", "skos:notation": "24DP", "dbo:iupacName": { "@language": "en", "@value": "2-(2,4-Dichlorophenoxy)propanoic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_120-36-5" }, "rdfs:seeAlso": { "@id": "compound:8427" }, "dbo:smiles": "CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0004676" }, "dbp:inchikey": "MZHCENGPTKEIGP-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dichloorprop" }, "dbo:inchi": "InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)", "dbo:pubchem": { "@value": "8427", "@type": "xsd:int" } }, { "@id": "csc:IWDCLRJOBJJRNH-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "2879", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC=C(C=C1)O", "dbo:casNumber": [ "2876-02-0", "1319-77-3", "72269-62-6", "106-44-5" ], "dbo:formula": "C7H8O", "skos:notation": [ "scresl", "pcresl" ], "skos:altLabel": [ { "@language": "nl", "@value": "4-methylfenol (p-cresol)" }, { "@language": "nl", "@value": "p-cresol" } ], "skos:prefLabel": { "@language": "nl", "@value": "4-methylfenol" }, "skos:exactMatch": { "@id": "wise:CAS_106-44-5" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "IWDCLRJOBJJRNH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001275" }, "dbo:iupacName": { "@language": "en", "@value": "4-Methylphenol" }, "rdfs:seeAlso": { "@id": "compound:2879" } }, { "@id": "csc:PZXOQEXFMJCDPG-UHFFFAOYSA-N", "dbp:inchikey": "PZXOQEXFMJCDPG-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_1113-02-6" }, "skos:prefLabel": { "@language": "nl", "@value": "omethoaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001663" }, "dbo:pubchem": { "@value": "14210", "@type": "xsd:int" }, "dbo:casNumber": "1113-02-6", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:14210" }, "dbo:smiles": "CNC(=O)CSP(=O)(OC)OC", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "omtat", "dbo:iupacName": { "@language": "en", "@value": "2-dimethoxyphosphorylsulfanyl-N-methylacetamide" }, "dbo:inchi": "InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)", "dbo:formula": "C5H12NO4PS" }, { "@id": "csc:IZUPBVBPLAPZRR-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "IZUPBVBPLAPZRR-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "pentachloorfenol" }, "dbo:casNumber": [ "101802-54-4", "87-86-5", "39390-77-7" ], "dbo:iupacName": { "@language": "en", "@value": "2,3,4,5,6-Pentachlorophenol" }, "dbo:pubchem": { "@value": "992", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "dbo:smiles": "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O", "dbo:formula": "C6HCl5O", "rdfs:seeAlso": { "@id": "compound:992" }, "skos:notation": "PeClFol", "skos:exactMatch": { "@id": "wise:CAS_87-86-5" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H" }, { "@id": "csc:MVWHGTYKUMDIHL-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "skos:altLabel": [ { "@language": "nl", "@value": "pcb-153" }, { "@language": "nl", "@value": "2,2',4,4',5,5'-hexachloorbifenyl (pcb153)" }, { "@language": "nl", "@value": "pcb 153" }, { "@language": "nl", "@value": "2,2',4,4',5,5'-hexachloorbifenyl" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "35065-27-1", "skos:exactMatch": { "@id": "wise:CAS_35065-27-1" }, "rdfs:seeAlso": { "@id": "compound:37034" }, "dbo:formula": "C12H4Cl6", "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-5-(2,4,5-trichlorophenyl)benzene" }, "skos:notation": "PCB153", "dbo:pubchem": { "@value": "37034", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-3-11(17)9(15)1-5(7)6-2-10(16)12(18)4-8(6)14/h1-4H", "dbp:inchikey": "MVWHGTYKUMDIHL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "PCB-153" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl" }, { "@id": "csc:DFBKLUNHFCTMDC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H8Cl6O", "dbo:casNumber": "72-20-8", "skos:broader": { "@id": "csc:CHEMONTID_0001549" }, "dbo:smiles": "C1C2C3C(C1C4C2O4)C5(C(=C(C3(C5(Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene" }, "skos:prefLabel": { "@language": "nl", "@value": "endrin" }, "skos:notation": "endn", "skos:exactMatch": [ { "@id": "wise:CAS_72-20-8" }, { "@id": "file:///tmp/chemische_stof.jsonld" } ], "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", "rdfs:seeAlso": { "@id": "compound:3048" }, "dbp:inchikey": "DFBKLUNHFCTMDC-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "3048", "@type": "xsd:int" } }, { "@id": "csc:HOKKPVIRMVDYPB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "HOKKPVIRMVDYPB-UHFFFAOYSA-N", "dbo:casNumber": "111988-49-9", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "thiacloprid" }, "skos:notation": "thiacpd", "dbo:inchi": "InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2", "dbo:smiles": "C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl", "dbo:pubchem": { "@value": "115224", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:115224" }, "dbo:iupacName": { "@language": "en", "@value": "[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide" }, "skos:broader": { "@id": "csc:CHEMONTID_0004532" }, "skos:exactMatch": { "@id": "wise:CAS_111988-49-9" }, "dbo:formula": "C10H9ClN4S" }, { "@id": "csc:NPDACUSDTOMAMK-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC=C(C=C1)Cl", "dbo:formula": "C7H7Cl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-4-methylbenzene" }, "dbo:inchi": "InChI=1S/C7H7Cl/c1-6-2-4-7(8)5-3-6/h2-5H,1H3", "dbo:casNumber": [ "3327-51-3", "106-43-4" ], "rdfs:seeAlso": { "@id": "compound:7810" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "NPDACUSDTOMAMK-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_106-43-4" }, "dbo:pubchem": { "@value": "7810", "@type": "xsd:int" }, "skos:notation": "4ClTol", "skos:prefLabel": { "@language": "nl", "@value": "4-chloortolueen" } }, { "@id": "csc:ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:996" }, "skos:exactMatch": { "@id": "wise:CAS_108-95-2" }, "dbo:casNumber": [ "8002-07-1", "14534-23-7", "50356-25-7", "1336-35-2", "108-95-2", "61788-41-8", "73607-76-8", "63496-48-0", "27073-41-2" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C(C=C1)O", "dbo:iupacName": { "@language": "en", "@value": "PHENOL" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art)" } ], "dbo:inchi": "InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H", "skos:broader": { "@id": "csc:CHEMONTID_0004647" }, "dbo:formula": "C6H6O", "skos:notation": "Fol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ISWSIDIOOBJBQZ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "fenol" }, "dbo:pubchem": { "@value": "996", "@type": "xsd:int" } }, { "@id": "csc:QSNSCYSYFYORTR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "4ClAn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "4-chlooraniline" }, "dbp:inchikey": "QSNSCYSYFYORTR-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H6ClN/c7-5-1-3-6(8)4-2-5/h1-4H,8H2", "dbo:casNumber": "106-47-8", "dbo:formula": "C6H6ClN", "skos:exactMatch": { "@id": "wise:CAS_106-47-8" }, "dbo:smiles": "C1=CC(=CC=C1N)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "skos:prefLabel": { "@language": "nl", "@value": "p-chlooraniline" }, "rdfs:seeAlso": { "@id": "compound:7812" }, "dbo:iupacName": { "@language": "en", "@value": "4-Chloroaniline" }, "dbo:pubchem": { "@value": "7812", "@type": "xsd:int" } }, { "@id": "csc:YAHNWSSFXMVPOU-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "2',3,4,4',5-pentachloorbifenyl (pcb123)" }, { "@language": "nl", "@value": "2,3',4,4',5'-pentachloorbifenyl" }, { "@language": "nl", "@value": "pcb 123" } ], "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "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", "rdfs:seeAlso": { "@id": "compound:47650" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene" }, "dbo:formula": "C12H5Cl5", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "PCB123", "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "dbp:inchikey": "YAHNWSSFXMVPOU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_65510-44-3" }, "skos:prefLabel": { "@language": "nl", "@value": "PCB 123" }, "dbo:pubchem": { "@value": "47650", "@type": "xsd:int" }, "dbo:casNumber": "65510-44-3" }, { "@id": "csc:QHOQHJPRIBSPCY-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine" }, "skos:broader": { "@id": "csc:CHEMONTID_0004771" }, "skos:exactMatch": { "@id": "wise:CAS_29232-93-7" }, "dbo:smiles": "CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C", "dbp:inchikey": "QHOQHJPRIBSPCY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3", "dbo:casNumber": "29232-93-7", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C11H20N3O3PS", "skos:altLabel": [ { "@language": "nl", "@value": "pirimifos-methyl" }, { "@language": "nl", "@value": "pirimiphos-methyl" } ], "skos:notation": "C1yprmfs", "rdfs:seeAlso": { "@id": "compound:34526" }, "skos:prefLabel": { "@language": "nl", "@value": "methylpirimifos" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "34526", "@type": "xsd:int" } }, { "@id": "csc:KUAZQDVKQLNFPE-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_137-26-8" }, "dbo:casNumber": [ "12680-07-8", "12680-62-5", "93196-73-7", "137-26-8", "66173-72-6", "39456-80-9", "56645-31-9" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "5455", "@type": "xsd:int" }, "dbo:smiles": "CN(C)C(=S)SSC(=S)N(C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5455" }, "dbp:inchikey": "KUAZQDVKQLNFPE-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "dimethylcarbamothioylsulfanyl dimethylaminomethanedithioate" }, "skos:broader": { "@id": "csc:CHEMONTID_0004791" }, "skos:notation": "thirm", "dbo:inchi": "InChI=1S/C6H12N2S4/c1-7(2)5(9)11-12-6(10)8(3)4/h1-4H3", "dbo:formula": "C6H12N2S4", "skos:prefLabel": { "@language": "nl", "@value": "thiram" } }, { "@id": "csc:REHONNLQRWTIFF-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_57465-28-8" }, "skos:prefLabel": { "@language": "nl", "@value": "PCB 126" }, "rdfs:seeAlso": { "@id": "compound:63090" }, "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C(=C2)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "REHONNLQRWTIFF-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "3,3',4,4',5-pentachloorbifenyl" }, { "@language": "nl", "@value": "3,3',4,4',5-pentachloorbifenyl (pcb126)" }, { "@language": "nl", "@value": "pcb 126" } ], "skos:notation": "PCB126", "dbo:casNumber": "57465-28-8", "dbo:formula": "C12H5Cl5", "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "dbo:inchi": "InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "63090", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene" } }, { "@id": "csc:DIKBFYAXUHHXCS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "5558", "@type": "xsd:int" }, "dbo:casNumber": [ "4471-18-5", "75-25-2" ], "dbp:inchikey": "DIKBFYAXUHHXCS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/CHBr3/c2-1(3)4/h1H", "dbo:formula": "CHBr3", "dbo:smiles": "C(Br)(Br)Br", "dbo:iupacName": { "@language": "en", "@value": "Bromoform" }, "skos:altLabel": { "@language": "nl", "@value": "bromoform" }, "skos:exactMatch": { "@id": "wise:CAS_75-25-2" }, "skos:notation": "TBrC1a", "skos:prefLabel": { "@language": "nl", "@value": "tribroommethaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5558" }, "skos:broader": { "@id": "csc:CHEMONTID_0004160" } }, { "@id": "csc:WDECIBYCCFPHNR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "9171", "@type": "xsd:int" }, "dbo:casNumber": [ "27274-05-1", "218-01-9", "65777-08-4" ], "dbp:inchikey": "WDECIBYCCFPHNR-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "chryseen" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43", "dbo:iupacName": { "@language": "en", "@value": "Chrysene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:9171" }, "skos:notation": "Chr", "skos:exactMatch": { "@id": "wise:CAS_218-01-9" }, "skos:broader": { "@id": "csc:CHEMONTID_0001142" }, "dbo:inchi": "InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H", "dbo:formula": "C18H12" }, { "@id": "csc:BRPSAOUFIJSKOT-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_608-27-5" }, "dbp:inchikey": "BRPSAOUFIJSKOT-UHFFFAOYSA-N", "dbo:casNumber": [ "608-27-5", "27134-27-6" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:iupacName": { "@language": "en", "@value": "2,3-Dichloroaniline" }, "skos:notation": "23DClAn", "skos:prefLabel": { "@language": "nl", "@value": "2,3-dichlooraniline" }, "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2", "dbo:pubchem": { "@value": "11844", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:11844" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)N", "dbo:formula": "C6H5Cl2N" }, { "@id": "csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)", "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "dbp:inchikey": "CWJSHJJYOPWUGX-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_101-21-3" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:2728" }, "dbo:pubchem": { "@value": "2728", "@type": "xsd:int" }, "dbo:casNumber": [ "101-21-3", "11097-02-2" ], "skos:altLabel": { "@language": "nl", "@value": "chlorpropham" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorprofam" }, "skos:notation": "Clpfm", "dbo:iupacName": { "@language": "en", "@value": "propan-2-yl N-(3-chlorophenyl)carbamate" }, "dbo:formula": "C10H12ClNO2", "dbo:smiles": "CC(C)OC(=O)NC1=CC(=CC=C1)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VYZAHLCBVHPDDF-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-2,4-dinitrobenzene" }, "dbo:smiles": "C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "97-00-7", "dbo:formula": "C6H3ClN2O4", "skos:exactMatch": { "@id": "wise:CAS_97-00-7" }, "dbo:pubchem": { "@value": "6", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "skos:notation": "1Cl24DNO2Ben", "dbp:inchikey": "VYZAHLCBVHPDDF-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H", "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-2,4-dinitrobenzeen" } }, { "@id": "csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H", "rdfs:seeAlso": { "@id": "compound:29575" }, "dbo:formula": "C12H2Cl6O2", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,7,8,9-hexachlorooxanthrene" }, "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzo-para-dioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzodioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzo-p-dioxine" } ], "dbp:inchikey": "LGIRBUBHIWTVCK-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "29575", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_19408-74-3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "19408-74-3", "skos:prefLabel": { "@language": "nl", "@value": " 1,2,3,7,8,9-hexachloordibenzodioxine" }, "skos:notation": "PCDD70", "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl" }, { "@id": "csc:PXMNMQRDXWABCY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PXMNMQRDXWABCY-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:86102" }, "dbo:casNumber": [ "107534-96-3", "80443-41-0" ], "dbo:formula": "C16H22ClN3O", "skos:broader": { "@id": "csc:CHEMONTID_0000014" }, "dbo:iupacName": { "@language": "en", "@value": "1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol" }, "skos:notation": "tebcnzl", "skos:prefLabel": { "@language": "nl", "@value": "tebuconazol" }, "dbo:inchi": "InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3", "dbo:smiles": "CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O", "skos:altLabel": { "@language": "nl", "@value": "tebuconazole" }, "skos:exactMatch": { "@id": "wise:CAS_107534-96-3" }, "dbo:pubchem": { "@value": "86102", "@type": "xsd:int" } }, { "@id": "csc:WJNRPILHGGKWCK-UHFFFAOYSA-N", "dbo:formula": "C9H16ClN5", "dbp:inchikey": "WJNRPILHGGKWCK-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "139-40-2", "rdfs:seeAlso": { "@id": "compound:4937" }, "skos:exactMatch": { "@id": "wise:CAS_139-40-2" }, "dbo:iupacName": { "@language": "en", "@value": "6-chloro-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine" }, "dbo:pubchem": { "@value": "4937", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)NC1=NC(=NC(=N1)Cl)NC(C)C", "dbo:inchi": "InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)", "skos:broader": { "@id": "csc:CHEMONTID_0004734" }, "skos:prefLabel": { "@language": "nl", "@value": "propazine" }, "skos:notation": "propzne" }, { "@id": "csc:YHRUOJUYPBUZOS-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:8881" }, "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:formula": "C3H6Cl2", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dichloorpropaan" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloropropane" }, "dbo:smiles": "C(CCl)CCl", "dbo:casNumber": "142-28-9", "skos:exactMatch": { "@id": "wise:CAS_142-28-9" }, "dbo:inchi": "InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2", "dbp:inchikey": "YHRUOJUYPBUZOS-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "8881", "@type": "xsd:int" }, "skos:notation": "13DClC3a", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:XUAWBXBYHDRROL-UHFFFAOYSA-N", "skos:notation": "PCB189", "dbo:formula": "C12H3Cl7", "skos:altLabel": [ { "@language": "nl", "@value": "2,3,3',4,4',5,5'-heptachloorbifenyl (pcb189)" }, { "@language": "nl", "@value": "pcb 189" }, { "@language": "nl", "@value": "PCB 189" } ], "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", "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,4',5,5 '-heptachlorobifenyl" }, "dbo:pubchem": { "@value": "38306", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_39635-31-9" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene" }, "rdfs:seeAlso": { "@id": "compound:38306" }, "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl", "dbp:inchikey": "XUAWBXBYHDRROL-UHFFFAOYSA-N", "dbo:casNumber": "39635-31-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:IOJUPLGTWVMSFF-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "benzothiazole" }, "dbo:smiles": "C1=CC=C2C(=C1)N=CS2", "dbp:inchikey": "IOJUPLGTWVMSFF-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H5NS/c1-2-4-7-6(3-1)8-5-9-7/h1-5H", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "1,3-benzothiazole" }, "dbo:casNumber": [ "95-16-9", "128366-28-9" ], "rdfs:seeAlso": { "@id": "compound:7222" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000311" }, "dbo:formula": "C7H5NS", "skos:exactMatch": { "@id": "wise:CAS_95-16-9" }, "dbo:pubchem": { "@value": "7222", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "benzothiazool" }, "skos:notation": "benztazl" }, { "@id": "csc:PAYRUJLWNCNPSJ-UHFFFAOYSA-N", "dbo:casNumber": [ "62-53-3", "37342-16-8", "146997-94-6", "17843-02-6", "53894-37-4" ], "dbo:inchi": "InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2", "dbo:pubchem": { "@value": "6115", "@type": "xsd:int" }, "dbo:formula": "C6H7N", "dbo:smiles": "C1=CC=C(C=C1)N", "dbp:inchikey": "PAYRUJLWNCNPSJ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6115" }, "skos:exactMatch": { "@id": "wise:CAS_62-53-3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "An", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "Aniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "skos:prefLabel": { "@language": "nl", "@value": "aniline" } }, { "@id": "csc:ATROHALUCMTWTB-WYMLVPIESA-N", "skos:exactMatch": { "@id": "wise:CAS_14816-18-3" }, "dbo:formula": "C12H15N2O3PS", "dbo:smiles": "CCOP(=S)(OCC)ON=C(C#N)C1=CC=CC=C1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "9570290", "@type": "xsd:int" }, "dbp:inchikey": "ATROHALUCMTWTB-WYMLVPIESA-N", "skos:notation": "fOxm", "dbo:iupacName": { "@language": "en", "@value": "N-diethoxyphosphinothioyloxybenzenecarboximidoyl cyanide" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "14816-18-3", "dbo:inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12+", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "rdfs:seeAlso": { "@id": "compound:9570290" }, "skos:prefLabel": { "@language": "nl", "@value": "foxim" } }, { "@id": "csc:WCYYQNSQJHPVMG-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzodioxine (hxcdd)" }, { "@language": "nl", "@value": " 1,2,3,4,7,8-hexachloordibenzodioxine" }, { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzo-para-dioxine" }, { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzo-p-dioxine" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "skos:notation": "PCDD66", "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,7,8-hexachlorooxanthrene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_39227-28-6" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "38251", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-6(2-4(3)14)20-12-10(18)8(16)7(15)9(17)11(12)19-5/h1-2H", "dbo:casNumber": "39227-28-6", "dbp:inchikey": "WCYYQNSQJHPVMG-UHFFFAOYSA-N", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzodioxine" }, "rdfs:seeAlso": { "@id": "compound:38251" }, "dbo:formula": "C12H2Cl6O2" }, { "@id": "csc:FRCCEHPWNOQAEU-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,5,7,8,9,10,10-heptachlorotricyclo[5.2.1.02,6]deca-3,8-diene" }, "skos:exactMatch": { "@id": "wise:CAS_76-44-8" }, "rdfs:seeAlso": { "@id": "compound:3589" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "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:casNumber": [ "23720-59-4", "37229-06-4", "76-44-8" ], "skos:prefLabel": { "@language": "nl", "@value": "heptachloor" }, "dbp:inchikey": "FRCCEHPWNOQAEU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:pubchem": { "@value": "3589", "@type": "xsd:int" }, "skos:notation": "HpCl", "dbo:smiles": "C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbo:formula": "C10H5Cl7", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:NLHHRLWOUZZQLW-UHFFFAOYSA-N", "skos:notation": "aclntl", "dbo:formula": "C3H3N", "dbo:casNumber": [ "107-13-1", "63908-52-1", "29754-21-0" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.1.4/ Art. 5.7.7.1/Art. 5.7.13.1" } ], "skos:exactMatch": { "@id": "wise:CAS_107-13-1" }, "dbo:pubchem": { "@value": "7855", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "prop-2-enenitrile" }, "skos:prefLabel": { "@language": "nl", "@value": "acrylonitrile" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:7855" }, "dbo:smiles": "C=CC#N", "dbo:inchi": "InChI=1S/C3H3N/c1-2-3-4/h2H,1H2", "dbp:inchikey": "NLHHRLWOUZZQLW-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "acrylonitril" }, "skos:broader": { "@id": "csc:CHEMONTID_0000362" } }, { "@id": "csc:ZHLICBPIXDOFFG-UHFFFAOYSA-N", "dbo:formula": "C12H4Cl6", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "pcb 169" }, { "@language": "nl", "@value": "3,3',4,4',5,5'-hexachloorbifenyl" }, { "@language": "nl", "@value": "PCB 169" } ], "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl", "skos:exactMatch": [ { "@id": "wise:CAS_32774-16-6" }, { "@id": "wise:CAS_1336-36-3" } ], "skos:notation": "PCB169", "dbo:pubchem": { "@value": "36231", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene" }, "dbp:inchikey": "ZHLICBPIXDOFFG-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "rdfs:seeAlso": { "@id": "compound:36231" }, "dbo:casNumber": [ "32774-16-6", "1336-36-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "3,3',4,4',5,5'-hexachloorbifenyl (pcb169)" }, "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" }, { "@id": "csc:VHCNQEUWZYOAEV-UHFFFAOYSA-N", "dbp:inchikey": "VHCNQEUWZYOAEV-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004107" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "38854", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:38854" }, "dbo:smiles": "CC1=NN=C(C(=O)N1N)C2=CC=CC=C2", "dbo:formula": "C10H10N4O", "dbo:iupacName": { "@language": "en", "@value": "4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one" }, "dbo:casNumber": "41394-05-2", "skos:notation": "mmtn", "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", "skos:prefLabel": { "@language": "nl", "@value": "metamitron" }, "skos:exactMatch": { "@id": "wise:CAS_41394-05-2" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VTNQPKFIQCLBDU-UHFFFAOYSA-N", "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", "skos:notation": "actCl", "skos:prefLabel": { "@language": "nl", "@value": "acetochloor" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "1988", "@type": "xsd:int" }, "dbo:casNumber": [ "123113-74-6", "34256-82-1" ], "dbp:inchikey": "VTNQPKFIQCLBDU-UHFFFAOYSA-N", "dbo:smiles": "CCC1=CC=CC(=C1N(COCC)C(=O)CCl)C", "rdfs:seeAlso": { "@id": "compound:1988" }, "skos:exactMatch": { "@id": "wise:CAS_34256-82-1" }, "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C14H20ClNO2", "skos:broader": { "@id": "csc:CHEMONTID_0000285" } }, { "@id": "csc:ZXFXBSWRVIQKOD-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_1024-57-3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "beta-heptachloorepoxide" }, "rdfs:seeAlso": { "@id": "compound:13930" }, "dbo:pubchem": { "@value": "13930", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "cis-heptachloorepoxide" }, { "@language": "nl", "@value": "cis-heptachloorepoxyde" } ], "skos:notation": "cHpClepO", "dbo:casNumber": [ "24699-42-1", "24717-72-4", "4067-30-5", "1024-57-3", "28044-82-8", "66240-71-9" ], "dbo:smiles": "C12C(C(C3C1O3)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl", "dbo:formula": "C10H5Cl7O", "skos:broader": { "@id": "csc:CHEMONTID_0002012" }, "dbp:inchikey": "ZXFXBSWRVIQKOD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,6,8,9,10,11,11-heptachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene" } }, { "@id": "csc:ZLMJMSJWJFRBEC-UHFFFAOYSA-N", "dbp:inchikey": "ZLMJMSJWJFRBEC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "K", "dbo:pubchem": { "@value": "5462222", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_7440-09-7" }, "dbo:smiles": "[K]", "dbo:iupacName": { "@language": "en", "@value": "potassium" }, "skos:prefLabel": { "@language": "nl", "@value": "kalium" }, "dbo:inchi": "InChI=1S/K", "dbo:casNumber": "7440-09-07", "rdfs:seeAlso": { "@id": "compound:5462222" }, "dbo:formula": "K", "skos:broader": { "@id": "csc:CHEMONTID_0000425" } }, { "@id": "csc:DNXHEGUUPJUMQT-CBZIJGRNSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003570" }, "skos:notation": "oestn", "dbp:inchikey": "DNXHEGUUPJUMQT-CBZIJGRNSA-N", "skos:exactMatch": { "@id": "wise:CAS_53-16-7" }, "dbo:casNumber": [ "53-16-7", "37242-41-4" ], "dbo:smiles": "CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O", "dbo:pubchem": { "@value": "5870", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one" }, "dbo:formula": "C18H22O2", "dbo:inchi": "InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1", "skos:prefLabel": { "@language": "nl", "@value": "oestron" }, "rdfs:seeAlso": { "@id": "compound:5870" } }, { "@id": "csc:KUFFULVDNCHOFZ-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_105-67-9" }, "skos:altLabel": [ { "@language": "nl", "@value": "2,4-dimethylfenol" }, { "@language": "nl", "@value": "2,4-xylenol " } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:7771" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-xylenol" }, "dbo:casNumber": "105-67-9", "skos:broader": { "@id": "csc:CHEMONTID_0004212" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Dimethylphenol" }, "dbo:smiles": "CC1=CC(=C(C=C1)O)C", "dbo:formula": "C8H10O", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3", "dbp:inchikey": "KUFFULVDNCHOFZ-UHFFFAOYSA-N", "skos:notation": "24DC1yFol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "7771", "@type": "xsd:int" } }, { "@id": "csc:IAYPIBMASNFSPL-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'ethyleenoxide'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" } ], "dbo:formula": "C2H4O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "37341-05-2", "75-21-8", "9072-62-2", "19034-08-3", "99932-75-9", "184288-32-2" ], "skos:prefLabel": { "@language": "nl", "@value": "ethyleenoxide" }, "dbo:smiles": "C1CO1", "dbo:iupacName": { "@language": "en", "@value": "['Oxirane', '1-oxacycloprop-2-yne']" }, "dbo:pubchem": { "@value": "6354", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C2H4O/c1-2-3-1/h1-2H2", "skos:broader": { "@id": "csc:CHEMONTID_0000159" }, "rdfs:seeAlso": { "@id": "compound:6354" }, "dbp:inchikey": "IAYPIBMASNFSPL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_75-21-8" }, "skos:notation": "C2yeO", "skos:altLabel": { "@language": "nl", "@value": "ethyleenoxide " } }, { "@id": "csc:RULKYXXCCZZKDZ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,3,4,5-TETRACHLOROPHENOL" }, "rdfs:seeAlso": { "@id": "compound:21013" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,4,5-tetrachloorfenol" }, "dbo:casNumber": [ "25167-83-3", "4901-51-3" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C6H2Cl4O", "skos:notation": "2345T4ClFol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H2Cl4O/c7-2-1-3(11)5(9)6(10)4(2)8/h1,11H", "dbo:pubchem": { "@value": "21013", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "skos:exactMatch": { "@id": "wise:CAS_4901-51-3" }, "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O", "dbp:inchikey": "RULKYXXCCZZKDZ-UHFFFAOYSA-N" }, { "@id": "csc:GBNHEBQXJVDXSW-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3,4,5-trichloorfenol" }, "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)O", "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H", "dbo:casNumber": "609-19-8", "dbo:formula": "C6H3Cl3O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002772" }, "skos:exactMatch": { "@id": "wise:CAS_609-19-8" }, "dbo:iupacName": { "@language": "en", "@value": "3,4,5-Trichlorophenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "345TClFol", "dbp:inchikey": "GBNHEBQXJVDXSW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11859" }, "dbo:pubchem": { "@value": "11859", "@type": "xsd:int" } }, { "@id": "csc:BZRUVKZGXNSXMB-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "sebutylazine" }, "skos:exactMatch": { "@id": "wise:CAS_7286-69-3" }, "skos:broader": { "@id": "csc:CHEMONTID_0004734" }, "rdfs:seeAlso": { "@id": "compound:23712" }, "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:casNumber": [ "7286-69-3", "109829-45-0" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "23712", "@type": "xsd:int" }, "dbo:smiles": "CCC(C)NC1=NC(=NC(=N1)NCC)Cl", "skos:notation": "seC4yazne", "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-yl-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "sebuthylazine" }, "dbo:formula": "C9H16ClN5", "dbp:inchikey": "BZRUVKZGXNSXMB-UHFFFAOYSA-N" }, { "@id": "csc:DFWFIQKMSFGDCQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "6-chloro-N-propan-2-yl-1,3,5-triazine-2,4-diamine" }, "dbo:inchi": "InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)", "skos:exactMatch": { "@id": "wise:CAS_6190-65-4" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "desC2yatzne", "rdfs:seeAlso": { "@id": "compound:22563" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H10ClN5", "dbo:pubchem": { "@value": "22563", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004734" }, "dbp:inchikey": "DFWFIQKMSFGDCQ-UHFFFAOYSA-N", "dbo:casNumber": "6190-65-4", "dbo:smiles": "CC(C)NC1=NC(=NC(=N1)N)Cl", "skos:prefLabel": { "@language": "nl", "@value": "desethylatrazine" } }, { "@id": "csc:WFKWXMTUELFFGS-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_7440-33-7" }, "skos:notation": "W", "dbo:formula": "W", "dbo:inchi": "InChI=1S/W", "dbp:inchikey": "WFKWXMTUELFFGS-UHFFFAOYSA-N", "dbo:casNumber": [ "22541-98-6", "37374-90-6", "7440-33-7" ], "dbo:pubchem": { "@value": "23964", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "wolfraam" }, "rdfs:seeAlso": { "@id": "compound:23964" }, "dbo:smiles": "[W]", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:iupacName": { "@language": "en", "@value": "Tungsten" } }, { "@id": "csc:XLNZEKHULJKQBA-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_13071-79-9" }, "dbo:formula": "C9H21O2PS3", "dbo:pubchem": { "@value": "25670", "@type": "xsd:int" }, "dbo:smiles": "CCOP(=S)(OCC)SCSC(C)(C)C", "dbo:inchi": "InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "XLNZEKHULJKQBA-UHFFFAOYSA-N", "skos:notation": "terbfs", "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "dbo:iupacName": { "@language": "en", "@value": "tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane" }, "rdfs:seeAlso": { "@id": "compound:25670" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:casNumber": "13071-79-9", "skos:prefLabel": { "@language": "nl", "@value": "terbufos" } }, { "@id": "csc:IIBYAHWJQTYFKB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_41859-67-0" }, "dbp:inchikey": "IIBYAHWJQTYFKB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "39042", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:39042" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "bezafbt", "dbo:formula": "C19H20ClNO4", "dbo:iupacName": { "@language": "en", "@value": "2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoic acid" }, "skos:prefLabel": { "@language": "nl", "@value": "bezafibraat" }, "dbo:inchi": "InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)", "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "dbo:smiles": "CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl", "dbo:casNumber": "41859-67-0" }, { "@id": "csc:PMCVMORKVPSKHZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:4618" }, "skos:broader": { "@id": "csc:CHEMONTID_0000491" }, "dbo:smiles": "CCS(=O)CCSP(=O)(OC)OC", "dbo:inchi": "InChI=1S/C6H15O4PS2/c1-4-13(8)6-5-12-11(7,9-2)10-3/h4-6H2,1-3H3", "dbp:inchikey": "PMCVMORKVPSKHZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": "301-12-2", "dbo:formula": "C6H15O4PS2", "dbo:iupacName": { "@language": "en", "@value": "1-dimethoxyphosphorylsulfanyl-2-ethylsulfinylethane" }, "skos:altLabel": { "@language": "nl", "@value": "oxydemeton-methyl" }, "dbo:pubchem": { "@value": "4618", "@type": "xsd:int" }, "skos:notation": "C1yOxdmtn", "skos:prefLabel": { "@language": "nl", "@value": "methyloxydemeton" }, "skos:exactMatch": { "@id": "wise:CAS_301-12-2" } }, { "@id": "csc:ROSDSFDQCJNGOL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": "124-40-3", "dbo:smiles": "CNC", "dbo:pubchem": { "@value": "674", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C2H7N/c1-3-2/h3H,1-2H3", "dbo:formula": "C2H7N", "skos:altLabel": { "@language": "nl", "@value": "dimethylamine " }, "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:notation": "DC1yAe", "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "skos:exactMatch": { "@id": "wise:CAS_124-40-3" }, "dbp:inchikey": "ROSDSFDQCJNGOL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "N-Methylmethanamine" }, "rdfs:seeAlso": { "@id": "compound:674" }, "skos:prefLabel": { "@language": "nl", "@value": "dimethylamine" } }, { "@id": "csc:DMLQSUZPTTUUDP-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1Br)Br)OC2=C(C(=C(C=C2)Br)Br)Br", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "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", "skos:altLabel": { "@language": "nl", "@value": "2,2',3,4,4'-pentabroomdifenylether (bde85)" }, "skos:exactMatch": { "@id": "wise:CAS_182346-21-0" }, "dbo:pubchem": { "@value": "177368", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-tribromo-4-(2,4-dibromophenoxy)benzene" }, "skos:notation": "PBDE85", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4,4'-pentabroomdifenylether" }, "dbo:casNumber": "182346-21-0", "dbo:formula": "C12H5Br5O", "dbp:inchikey": "DMLQSUZPTTUUDP-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:177368" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001845" } }, { "@id": "csc:JLVVSXFLKOJNIY-UHFFFAOYSA-N", "dbo:formula": "Mg+2", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "[Mg+2]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "888", "@type": "xsd:int" }, "dbo:casNumber": [ "7439-95-4", "22537-22-0" ], "skos:altLabel": { "@language": "nl", "@value": "magnesium, tweewaardig" }, "skos:prefLabel": { "@language": "nl", "@value": "magnesium" }, "dbp:inchikey": "JLVVSXFLKOJNIY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000428" }, "dbo:inchi": "InChI=1S/Mg/q+2", "skos:notation": "Mg", "skos:exactMatch": { "@id": "wise:CAS_7439-95-4" }, "rdfs:seeAlso": { "@id": "compound:888" }, "dbo:iupacName": { "@language": "en", "@value": "magnesium(+2) cation" } }, { "@id": "csc:YFGYUFNIOHWBOB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0003901" }, "rdfs:seeAlso": { "@id": "compound:31645" }, "skos:exactMatch": { "@id": "wise:CAS_23103-98-2" }, "dbo:casNumber": "23103-98-2", "skos:prefLabel": { "@language": "nl", "@value": "pirimicarb" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "31645", "@type": "xsd:int" }, "skos:notation": "pirmcb", "dbo:iupacName": { "@language": "en", "@value": "(2-dimethylamino-5,6-dimethylpyrimidin-4-yl) N,N-dimethylcarbamate" }, "dbo:formula": "C11H18N4O2", "dbp:inchikey": "YFGYUFNIOHWBOB-UHFFFAOYSA-N", "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:smiles": "CC1=C(N=C(N=C1OC(=O)N(C)C)N(C)C)C" }, { "@id": "csc:RDYMFSUJUZBWLH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide" }, "skos:altLabel": [ { "@language": "nl", "@value": "endosulfan (som alfa- en beta-isomeer)" }, { "@language": "nl", "@value": "?-endosulfan" } ], "skos:notation": "endsfn", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "alfa+beta endosulfan" }, "dbo:formula": "C9H6Cl6O3S", "dbp:inchikey": "RDYMFSUJUZBWLH-UHFFFAOYSA-N", "dbo:casNumber": [ "6994-04-3", "8003-45-0", "115-29-7" ], "skos:exactMatch": { "@id": "wise:CAS_115-29-7" }, "dbo:pubchem": { "@value": "3224", "@type": "xsd:int" }, "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:3224" }, "skos:broader": { "@id": "csc:CHEMONTID_0002074" } }, { "@id": "csc:WFDXOXNFNRHQEC-GHRIWEEISA-N", "dbp:inchikey": "WFDXOXNFNRHQEC-GHRIWEEISA-N", "skos:exactMatch": { "@id": "wise:CAS_131860-33-8" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "azoxsbn", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate" }, "dbo:inchi": "InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+", "dbo:casNumber": [ "131860-33-8", "215934-32-0" ], "dbo:formula": "C22H17N3O5", "dbo:pubchem": { "@value": "3034285", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:3034285" }, "dbo:smiles": "COC=C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC", "skos:broader": { "@id": "csc:CHEMONTID_0004203" }, "skos:prefLabel": { "@language": "nl", "@value": "azoxystrobin" } }, { "@id": "csc:HAXBIWFMXWRORI-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR II (D2)" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C2C=C3C4=CC=CC5=C4C(=CC=C5)C3=CC2=C1", "rdfs:seeAlso": { "@id": "compound:9158" }, "skos:prefLabel": { "@language": "nl", "@value": "benzo(k)fluorantheen" }, "dbo:pubchem": { "@value": "9158", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Benzo[k]fluoranthene" }, "dbo:inchi": "InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H", "dbo:formula": "C20H12", "dbo:casNumber": "207-08-9", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:notation": "BkF", "dbp:inchikey": "HAXBIWFMXWRORI-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_207-08-9" } }, { "@id": "csc:KFUSEUYYWQURPO-UPHRSURJSA-N", "dbo:iupacName": { "@language": "en", "@value": "(Z)-1,2-Dichloroethene" }, "rdfs:seeAlso": { "@id": "compound:643833" }, "dbo:smiles": "C(=CCl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:casNumber": "156-59-2", "dbp:inchikey": "KFUSEUYYWQURPO-UPHRSURJSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cis-1,2-dichlooretheen" }, "dbo:formula": "C2H2Cl2", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "643833", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_156-59-2" }, "dbo:inchi": "InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H/b2-1-", "skos:notation": "c12DClC2e", "skos:altLabel": { "@language": "nl", "@value": "1,2-dichlooretheen,cis" } }, { "@id": "csc:AJDIZQLSFPQPEY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,1,2-trichloortrifluorethaan" }, "dbo:casNumber": [ "56996-61-3", "59948-56-0", "39349-94-5", "76-13-1", "57762-34-2" ], "rdfs:seeAlso": { "@id": "compound:6428" }, "dbo:inchi": "InChI=1S/C2Cl3F3/c3-1(4,6)2(5,7)8", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,1,2-Trichloro-1,2,2-trifluoroethane" }, "dbo:pubchem": { "@value": "6428", "@type": "xsd:int" }, "dbo:smiles": "C(C(F)(Cl)Cl)(F)(F)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0004521" }, "skos:exactMatch": { "@id": "wise:CAS_76-13-1" }, "dbp:inchikey": "AJDIZQLSFPQPEY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": [ { "@language": "nl", "@value": "1,1,2-trichloor-1,2,2-trifluorethaan" }, { "@language": "nl", "@value": "1,1,2-trichloortrifluor-ethaan" } ], "skos:notation": "CFK113", "dbo:formula": "C2Cl3F3" }, { "@id": "csc:LKJPSUCKSLORMF-UHFFFAOYSA-N", "skos:notation": "Mlnrn", "skos:exactMatch": { "@id": "wise:CAS_1746-81-2" }, "dbo:inchi": "InChI=1S/C9H11ClN2O2/c1-12(14-2)9(13)11-8-5-3-7(10)4-6-8/h3-6H,1-2H3,(H,11,13)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "LKJPSUCKSLORMF-UHFFFAOYSA-N", "dbo:casNumber": [ "1746-81-2", "56449-36-6" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbo:pubchem": { "@value": "15629", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "3-(4-Chlorophenyl)-1-methoxy-1-methylurea" }, "dbo:formula": "C9H11ClN2O2", "rdfs:seeAlso": { "@id": "compound:15629" }, "dbo:smiles": "CN(C(=O)NC1=CC=C(C=C1)Cl)OC", "skos:prefLabel": { "@language": "nl", "@value": "monolinuron" } }, { "@id": "csc:OCJBOOLMMGQPQU-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_106-46-7" }, "dbo:pubchem": { "@value": "4685", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:4685" }, "skos:altLabel": { "@language": "nl", "@value": "1,4-dichloorbenzeen" }, "dbo:formula": "C6H4Cl2", "dbo:casNumber": [ "73513-56-1", "106-46-7" ], "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H", "skos:prefLabel": { "@language": "nl", "@value": "1,4-dichloorbenzeen " }, "skos:notation": "14DClBen", "dbp:inchikey": "OCJBOOLMMGQPQU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-Dichlorobenzene" }, "rdfs:comment": { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" }, "dbo:smiles": "C1=CC(=CC=C1Cl)Cl" }, { "@id": "csc:ZNOLGFHPUIJIMJ-UHFFFAOYSA-N", "dbo:casNumber": [ "94650-98-3", "122-14-5", "54182-70-6", "12764-87-3" ], "dbp:inchikey": "ZNOLGFHPUIJIMJ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3", "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "skos:prefLabel": { "@language": "nl", "@value": "fenitrothion" }, "rdfs:seeAlso": { "@id": "compound:31200" }, "dbo:formula": "C9H12NO5PS", "dbo:pubchem": { "@value": "31200", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_122-14-5" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidenephosphorane" }, "skos:notation": "feNO2ton", "dbo:smiles": "CC1=C(C=CC(=C1)OP(=S)(OC)OC)[N+](=O)[O-]" }, { "@id": "csc:OKTJSMMVPCPJKN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000000" }, "skos:exactMatch": { "@id": "wise:CAS_7440-44-0" }, "dbo:inchi": "InChI=1S/C", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "7440-44-0", "dbo:smiles": "[C]", "rdfs:seeAlso": { "@id": "compound:5462310" }, "dbp:inchikey": "OKTJSMMVPCPJKN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "koolstof" }, "skos:notation": "C", "dbo:pubchem": { "@value": "5462310", "@type": "xsd:int" }, "dbo:formula": "C", "dbo:iupacName": { "@language": "en", "@value": "Carbon" } }, { "@id": "csc:DOIRQSBPFJWKBE-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_84-74-2" }, "skos:prefLabel": { "@language": "nl", "@value": "di-n-butylftalaat" }, "rdfs:seeAlso": { "@id": "compound:3026" }, "dbo:iupacName": { "@language": "en", "@value": "dibutyl benzene-1,2-dicarboxylate" }, "dbp:inchikey": "DOIRQSBPFJWKBE-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "dibutylftalaat" }, "dbo:smiles": "CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3", "skos:notation": "DC4yFt", "dbo:pubchem": { "@value": "3026", "@type": "xsd:int" }, "dbo:casNumber": "84-74-2", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:formula": "C16H22O4" }, { "@id": "csc:KRHYYFGTRYWZRS-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "fluoride" }, "dbp:inchikey": "KRHYYFGTRYWZRS-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "28179", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/FH/h1H/p-1", "dbo:smiles": "[F-]", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "F-", "skos:broader": { "@id": "csc:CHEMONTID_0000432" }, "skos:notation": "F", "skos:exactMatch": { "@id": "wise:CAS_16984-48-8" }, "dbo:iupacName": { "@language": "en", "@value": "fluoride" }, "rdfs:seeAlso": { "@id": "compound:28179" }, "dbo:casNumber": "16984-48-8", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OBZIQQJJIKNWNO-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidenephosphorane" }, "skos:prefLabel": { "@language": "nl", "@value": "tolclofos-methyl" }, "dbo:casNumber": [ "57018-04-9", "78617-09-1" ], "dbp:inchikey": "OBZIQQJJIKNWNO-UHFFFAOYSA-N", "dbo:formula": "C9H11Cl2O3PS", "dbo:pubchem": { "@value": "91664", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C9H11Cl2O3PS/c1-6-4-7(10)9(8(11)5-6)14-15(16,12-2)13-3/h4-5H,1-3H3", "dbo:smiles": "CC1=CC(=C(C(=C1)Cl)OP(=S)(OC)OC)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "skos:notation": "tolcfsC1y", "rdfs:seeAlso": { "@id": "compound:91664" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_57018-04-9" } }, { "@id": "csc:MFOUDYKPLGXPGO-UHFFFAOYSA-N", "dbo:casNumber": [ "63704-81-4", "1918-16-7" ], "dbo:iupacName": { "@language": "en", "@value": "2-chloro-N-phenyl-N-propan-2-ylacetamide" }, "skos:exactMatch": { "@id": "wise:CAS_1918-16-7" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC(C)N(C1=CC=CC=C1)C(=O)CCl", "rdfs:seeAlso": { "@id": "compound:4931" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "propachlor" }, "dbo:pubchem": { "@value": "4931", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3", "skos:notation": "propCl", "skos:prefLabel": { "@language": "nl", "@value": "propachloor" }, "dbo:formula": "C11H14ClNO", "skos:broader": { "@id": "csc:CHEMONTID_0000285" }, "dbp:inchikey": "MFOUDYKPLGXPGO-UHFFFAOYSA-N" }, { "@id": "csc:NYQDCVLCJXRDSK-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "methylbromofos" }, { "@language": "nl", "@value": "bromofos-methyl" } ], "skos:notation": "C1yBrfs", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8H8BrCl2O3PS", "skos:broader": { "@id": "csc:CHEMONTID_0004748" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "NYQDCVLCJXRDSK-UHFFFAOYSA-N", "dbo:casNumber": [ "12778-41-5", "12778-42-6", "2104-96-3" ], "dbo:smiles": "COP(=S)(OC)OC1=CC(=C(C=C1Cl)Br)Cl", "dbo:iupacName": { "@language": "en", "@value": "(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidenephosphorane" }, "skos:exactMatch": { "@id": "wise:CAS_2104-96-3" }, "rdfs:seeAlso": { "@id": "compound:16422" }, "dbo:pubchem": { "@value": "16422", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3", "skos:prefLabel": { "@language": "nl", "@value": "bromophos" } }, { "@id": "csc:BKVIYDNLLOSFOA-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:5359464" }, "dbo:formula": "Tl", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'thallium en de verbindingen daarvan, uitgedrukt als thallium (Tl)" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.2 'thallium'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Tl'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'thallium en zijn verbindingen, uitgedrukt in Se'" }, { "@language": "nl", "@value": "VLAR II (D5) 'thallium en thalliumverbindingen, uitgedrukt als thallium'" } ], "dbp:inchikey": "BKVIYDNLLOSFOA-UHFFFAOYSA-N", "dbo:smiles": "[Tl]", "skos:notation": "Tl", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:iupacName": { "@language": "en", "@value": "THALLIUM" }, "dbo:casNumber": [ "7440-28-0", "113835-49-7", "82870-81-3" ], "dbo:pubchem": { "@value": "5359464", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_7440-28-0" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Tl", "skos:prefLabel": { "@language": "nl", "@value": "thallium" }, "skos:definition": { "@language": "nl", "@value": "thallium en thalliumverbindingen, uitgedrukt als thallium (Tl)" } }, { "@id": "csc:PUIYMUZLKQOUOZ-UHFFFAOYSA-N", "dbp:inchikey": "PUIYMUZLKQOUOZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:36679" }, "dbo:formula": "C12H18N2O", "skos:notation": "iptrn", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "36679", "@type": "xsd:int" }, "dbo:casNumber": "34123-59-6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "isoproturon" }, "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "dbo:inchi": "InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)", "skos:exactMatch": { "@id": "wise:CAS_34123-59-6" }, "dbo:iupacName": { "@language": "en", "@value": "1,1-dimethyl-3-(4-propan-2-ylphenyl)urea" }, "dbo:smiles": "CC(C)C1=CC=C(C=C1)NC(=O)N(C)C" }, { "@id": "csc:HAORKNGNJCEJBX-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-cyclopropyl-6-methyl-N-phenylpyrimidin-2-amine" }, "dbp:inchikey": "HAORKNGNJCEJBX-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "rdfs:seeAlso": { "@id": "compound:86367" }, "dbo:inchi": "InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)", "dbo:pubchem": { "@value": "86367", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_121552-61-2" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "121552-61-2", "dbo:smiles": "CC1=CC(=NC(=N1)NC2=CC=CC=C2)C3CC3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "cyprodinil" }, "skos:notation": "cypdnl", "dbo:formula": "C14H15N3" }, { "@id": "csc:RIZMRRKBZQXFOY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "3286", "@type": "xsd:int" }, "dbp:inchikey": "RIZMRRKBZQXFOY-UHFFFAOYSA-N", "dbo:smiles": "CCOP(=S)(OCC)SCSP(=S)(OCC)OCC", "dbo:formula": "C9H22O4P2S4", "skos:notation": "eton", "skos:prefLabel": { "@language": "nl", "@value": "ethion" }, "dbo:casNumber": "563-12-2", "skos:exactMatch": { "@id": "wise:CAS_563-12-2" }, "rdfs:seeAlso": { "@id": "compound:3286" }, "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": { "@language": "en", "@value": "diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004164" } }, { "@id": "csc:IPKKHRVROFYTEK-UHFFFAOYSA-N", "dbo:formula": "C18H26O4", "dbo:inchi": "InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:8561" }, "skos:notation": "DC5yFt", "dbo:casNumber": "131-18-0", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:pubchem": { "@value": "8561", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_131-18-0" }, "skos:prefLabel": { "@language": "nl", "@value": "dipentylftalaat" }, "skos:altLabel": { "@language": "nl", "@value": "di-n-pentylftalaat" }, "dbo:iupacName": { "@language": "en", "@value": "dipentyl benzene-1,2-dicarboxylate" }, "dbp:inchikey": "IPKKHRVROFYTEK-UHFFFAOYSA-N" }, { "@id": "csc:GWHJZXXIDMPWGX-UHFFFAOYSA-N", "skos:notation": "124TC1yBen", "dbo:iupacName": { "@language": "en", "@value": "1,2,4-Trimethylbenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:pubchem": { "@value": "7247", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C9H12", "rdfs:seeAlso": { "@id": "compound:7247" }, "dbp:inchikey": "GWHJZXXIDMPWGX-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3", "dbo:casNumber": [ "95-36-3", "95-63-6" ], "skos:prefLabel": { "@language": "nl", "@value": "1,2,4-trimethylbenzeen" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'trimethylbenzeen'" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC(=C(C=C1)C)C", "skos:exactMatch": { "@id": "wise:CAS_95-63-6" } }, { "@id": "csc:WXNZTHHGJRFXKQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4684", "@type": "xsd:int" }, "skos:notation": "4ClFol", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "WXNZTHHGJRFXKQ-UHFFFAOYSA-N", "dbo:casNumber": "106-48-9", "dbo:smiles": "C1=CC(=CC=C1O)Cl", "skos:exactMatch": { "@id": "wise:CAS_106-48-9" }, "skos:prefLabel": { "@language": "nl", "@value": "4-chloorfenol" }, "dbo:formula": "C6H5ClO", "dbo:inchi": "InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H", "dbo:iupacName": { "@language": "en", "@value": "4-Chlorophenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:4684" }, "skos:broader": { "@id": "csc:CHEMONTID_0002772" } }, { "@id": "csc:RDYMFSUJUZBWLH-VQDHCCOSSA-N", "dbo:casNumber": [ "12640-59-4", "33213-65-9", "19670-15-6", "891-86-1" ], "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "(1S,2R,8S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5lambda4-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide" }, "dbo:pubchem": { "@value": "6434141", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_33213-65-9" }, "skos:prefLabel": { "@language": "nl", "@value": "beta-endosulfan" }, "skos:broader": { "@id": "csc:CHEMONTID_0002074" }, "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?/m0/s1", "rdfs:seeAlso": { "@id": "compound:6434141" }, "dbo:formula": "C9H6Cl6O3S", "dbp:inchikey": "RDYMFSUJUZBWLH-VQDHCCOSSA-N", "skos:notation": "bedsfn", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:PXHVJJICTQNCMI-UHFFFAOYSA-N", "dbo:casNumber": [ "8049-31-8", "112084-17-0", "14903-34-5", "7440-02-0", "21595-53-9", "17375-04-1", "68412-20-4", "53527-81-4", "39303-46-3", "195161-84-3" ], "rdfs:seeAlso": { "@id": "compound:935" }, "dbo:smiles": "[Ni]", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 nikkel (nikkelmetaal, nikkelsulfide en sulfidische ertsen, nikkeloxide en nikkelcarbonaat, nikkeltetracarbonyl), uitgedrukt in Ni'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Ni'" }, { "@language": "nl", "@value": "VLAR II (D5) 'nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'nikkel en zijn verbindingen, uitgedrukt in Ni'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'nikkel'" }, { "@language": "nl", "@value": "VLAR bijl. 2.5.8.1 'Nikkel'" } ], "dbo:inchi": "InChI=1S/Ni", "dbp:inchikey": "PXHVJJICTQNCMI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "Nikkel (Ni)" }, "dbo:pubchem": { "@value": "935", "@type": "xsd:int" }, "skos:definition": { "@language": "nl", "@value": "nikkel en nikkelverbindingen, uitgedrukt als nikkel (Ni)" }, "skos:notation": "Ni", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Ni", "skos:exactMatch": { "@id": "wise:CAS_7440-02-0" }, "dbo:iupacName": { "@language": "en", "@value": "Nickel" }, "skos:prefLabel": { "@language": "nl", "@value": "nikkel" } }, { "@id": "csc:IUBSYMUCCVWXPE-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000139" }, "dbo:pubchem": { "@value": "4171", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C15H25NO3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "metpll", "dbo:casNumber": [ "37350-58-6", "51384-51-1", "54163-88-1" ], "rdfs:seeAlso": { "@id": "compound:4171" }, "dbo:smiles": "CC(C)NCC(COC1=CC=C(C=C1)CCOC)O", "dbp:inchikey": "IUBSYMUCCVWXPE-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_37350-58-6" }, "skos:prefLabel": { "@language": "nl", "@value": "metoprolol" }, "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" }, { "@id": "csc:WHPVYXDFIXRKLN-UHFFFAOYSA-N", "skos:exactMatch": [ { "@id": "wise:CAS_60348-60-9" }, { "@id": "wise:CAS_32534-81-9" } ], "dbo:inchi": "InChI=1S/C12H5Br5O/c13-6-1-2-11(9(16)3-6)18-12-5-8(15)7(14)4-10(12)17/h1-5H", "skos:notation": "PBDE99", "dbo:pubchem": { "@value": "36159", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C=C1Br)Br)OC2=CC(=C(C=C2Br)Br)Br", "dbo:casNumber": [ "134206-43-2", "132405-96-0", "60348-60-9", "32534-81-9" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,4-Tribromo-5-(2,4-dibromophenoxy)benzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,4',5-pentabroomdifenylether (bde99)" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C12H5Br5O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": [ { "@language": "nl", "@value": "pentabroomdifenylether" }, { "@language": "nl", "@value": "2,2',4,4',5-pentabroomdifenylether" }, { "@language": "nl", "@value": "bde 99" } ], "dbp:inchikey": "WHPVYXDFIXRKLN-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:36159" } }, { "@id": "csc:NIHNNTQXNPWCJQ-UHFFFAOYSA-N", "dbo:casNumber": [ "2299-68-5", "84987-80-4", "86-73-7" ], "dbo:pubchem": { "@value": "6853", "@type": "xsd:int" }, "dbp:inchikey": "NIHNNTQXNPWCJQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:6853" }, "dbo:formula": "C13H10", "dbo:inchi": "InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2", "dbo:smiles": "C1C2=CC=CC=C2C3=CC=CC=C31", "skos:exactMatch": { "@id": "wise:CAS_86-73-7" }, "skos:notation": "Fle", "skos:prefLabel": { "@language": "nl", "@value": "fluoreen" }, "skos:broader": { "@id": "csc:CHEMONTID_0000020" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "9H-Fluorene" } }, { "@id": "csc:KHNYNFUTFKJLDD-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC5=C4C3=CC=C5", "dbp:inchikey": "KHNYNFUTFKJLDD-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "rdfs:seeAlso": { "@id": "compound:9152" }, "skos:prefLabel": { "@language": "nl", "@value": "benzo(j)fluorantheen" }, "dbo:formula": "C20H12", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "205-82-3", "dbo:iupacName": { "@language": "en", "@value": "pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12,14,16(20),17-decaene" }, "skos:exactMatch": { "@id": "wise:CAS_205-82-3" }, "skos:notation": "BjF", "dbo:pubchem": { "@value": "9152", "@type": "xsd:int" } }, { "@id": "csc:GEPDYQSQVLXLEU-AATRIKPKSA-N", "dbo:iupacName": { "@language": "en", "@value": "['methyl 3-dimethoxyphosphoryloxybut-2-enoate', 'methyl (E)-3-dimethoxyphosphoryloxybut-2-enoate']" }, "rdfs:seeAlso": { "@id": "compound:5355863" }, "skos:exactMatch": { "@id": "wise:CAS_7786-34-7" }, "dbo:inchi": "InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3/b6-5+", "skos:notation": [ "cmevfs", "mevfs" ], "skos:prefLabel": { "@language": "nl", "@value": "mevinfos" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C7H13O6P", "dbo:casNumber": [ "7786-34-7", "298-01-1", "26718-65-0", "243464-31-5" ], "dbo:smiles": "CC(=CC(=O)OC)OP(=O)(OC)OC", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "GEPDYQSQVLXLEU-AATRIKPKSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "skos:altLabel": { "@language": "nl", "@value": "cis-mevinfos" }, "dbo:pubchem": { "@value": "5355863", "@type": "xsd:int" } }, { "@id": "csc:RPUMZMSNLZHIGZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:37035" }, "skos:altLabel": [ { "@language": "nl", "@value": "PCB-138" }, { "@language": "nl", "@value": "2,2',3,4,4',5'-hexachloorbifenyl (pcb138)" }, { "@language": "nl", "@value": "pcb-138" }, { "@language": "nl", "@value": "pcb 138" } ], "skos:exactMatch": { "@id": "wise:CAS_35065-28-2" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4,4',5'-hexachloorbifenyl" }, "skos:notation": "PCB138", "dbo:formula": "C12H4Cl6", "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-4-(2,4,5-trichlorophenyl)benzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "35065-28-2", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:smiles": "C1=CC(=C(C(=C1C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RPUMZMSNLZHIGZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "37035", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H" }, { "@id": "csc:TVLSRXXIMLFWEO-UHFFFAOYSA-N", "skos:notation": "proClaz", "dbo:iupacName": { "@language": "en", "@value": "N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_67747-09-5" }, "dbo:casNumber": [ "68444-81-5", "67747-09-5" ], "dbo:pubchem": { "@value": "73665", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbp:inchikey": "TVLSRXXIMLFWEO-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "prochloraz" }, "dbo:formula": "C15H16Cl3N3O2", "rdfs:seeAlso": { "@id": "compound:73665" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3", "dbo:smiles": "CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2" }, { "@id": "csc:ZUOUZKKEUPVFJK-UHFFFAOYSA-N", "dbp:inchikey": "ZUOUZKKEUPVFJK-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_92-52-4" }, "skos:prefLabel": { "@language": "nl", "@value": "difenyl" }, "skos:altLabel": { "@language": "nl", "@value": "bifenyl" }, "dbo:pubchem": { "@value": "7095", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7095" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C(C=C1)C2=CC=CC=C2", "skos:notation": "biFy", "dbo:casNumber": [ "68409-73-4", "92-52-4", "72931-46-5", "81846-81-3", "56481-93-7" ], "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "dbo:inchi": "InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H10", "dbo:iupacName": { "@language": "en", "@value": "Phenylbenzene" } }, { "@id": "csc:GUTLYIVDDKVIGB-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "kobalt (Co)" }, { "@language": "nl", "@value": "kobalt" } ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "Co", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'kobalt en zijn verbindingen, uitgedrukt in Co'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Co'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" }, { "@language": "nl", "@value": "VLAR II D5 'kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)'" } ], "dbp:inchikey": "GUTLYIVDDKVIGB-UHFFFAOYSA-N", "dbo:smiles": "[Co]", "skos:prefLabel": { "@language": "nl", "@value": "Kobalt" }, "dbo:iupacName": { "@language": "en", "@value": "Cobalt" }, "dbo:pubchem": { "@value": "104730", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Co", "dbo:casNumber": [ "7440-48-4", "16610-75-6" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Co", "skos:definition": { "@language": "nl", "@value": "kobalt en kobaltverbindingen, uitgedrukt als kobalt (Co)" }, "skos:exactMatch": { "@id": "wise:CAS_7440-48-4" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "rdfs:seeAlso": { "@id": "compound:104730" } }, { "@id": "csc:WDMKCPIVJOGHBF-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "67652-39-5", "67562-39-4", "38998-75-3" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,4,6,7,8-heptachloordibenzofuraan (hpcdf)" }, { "@language": "nl", "@value": " 1,2,3,4,6,7,8-heptachloordibenzofuraan" }, { "@language": "nl", "@value": "1,2,3,4,6,7,8-heptachloordibenzofuran" } ], "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "dbo:formula": "C12HCl7O", "dbp:inchikey": "WDMKCPIVJOGHBF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "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", "rdfs:seeAlso": { "@id": "compound:38199" }, "dbo:pubchem": { "@value": "38199", "@type": "xsd:int" }, "skos:notation": "PCDF131", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,6,7,8-heptachloordibenzofuraan" }, "skos:exactMatch": { "@id": "wise:CAS_67562-39-4" }, "dbo:smiles": "C1=C2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)OC2=C(C(=C1Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,6,7,8-HEPTACHLORODIBENZOFURAN" } }, { "@id": "csc:QARVLSVVCXYDNA-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H", "skos:broader": { "@id": "csc:CHEMONTID_0001098" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=CC=C(C=C1)Br", "skos:exactMatch": { "@id": "wise:CAS_108-86-1" }, "dbp:inchikey": "QARVLSVVCXYDNA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7961", "@type": "xsd:int" }, "dbo:casNumber": "108-86-1", "skos:prefLabel": { "@language": "nl", "@value": "broombenzeen" }, "dbo:iupacName": { "@language": "en", "@value": "Bromobenzene" }, "skos:notation": "BrBen", "dbo:formula": "C6H5Br", "rdfs:seeAlso": { "@id": "compound:7961" } }, { "@id": "csc:STCOOQWBFONSKY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003460" }, "dbo:casNumber": [ "15158-85-7", "80094-39-9", "19824-61-4", "126-73-8" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "STCOOQWBFONSKY-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_126-73-8" }, "dbo:pubchem": { "@value": "31357", "@type": "xsd:int" }, "dbo:smiles": "CCCCOP(=O)(OCCCC)OCCCC", "rdfs:seeAlso": { "@id": "compound:31357" }, "skos:notation": "TC4yPO4", "dbo:formula": "C12H27O4P", "dbo:inchi": "InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3", "dbo:iupacName": { "@language": "en", "@value": "['tributoxy-hydroxyphosphanium', 'Tributyl phosphate']" }, "skos:altLabel": { "@language": "nl", "@value": "tri-n-butylfosfaat" }, "skos:prefLabel": { "@language": "nl", "@value": "tributylfosfaat" } }, { "@id": "csc:ARERIMFZYPFJAV-UHFFFAOYSA-N", "dbp:inchikey": "ARERIMFZYPFJAV-UHFFFAOYSA-N", "dbo:casNumber": [ "82458-12-6", "115633-92-6", "40088-47-9" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_40088-47-9" }, "dbo:smiles": "C1=CC(=CC=C1OC2=C(C(=C(C=C2)Br)Br)Br)Br", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "tetrabroomdifenylether" }, "dbo:pubchem": { "@value": "38386", "@type": "xsd:int" }, "dbo:formula": "C12H6Br4O", "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-tribromo-4-(4-bromophenoxy)benzene" }, "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", "rdfs:seeAlso": { "@id": "compound:38386" } }, { "@id": "csc:GYFAGKUZYNFMBN-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_191-24-2" }, "dbo:casNumber": "191-24-2", "dbo:smiles": "C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "hexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene" }, "dbo:inchi": "InChI=1S/C22H12/c1-3-13-7-9-15-11-12-16-10-8-14-4-2-6-18-17(5-1)19(13)21(15)22(16)20(14)18/h1-12H", "skos:broader": { "@id": "csc:CHEMONTID_0000316" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C22H12", "skos:altLabel": [ { "@language": "nl", "@value": "benzo(g,h,i)peryleen" }, { "@language": "nl", "@value": "benzo(ghi)peryleen" }, { "@language": "nl", "@value": "benzo(g,h,i)peryleen (b)" } ], "skos:prefLabel": { "@language": "nl", "@value": "benzo(g,h,i)pery-leen" }, "skos:notation": "BghiPe", "dbp:inchikey": "GYFAGKUZYNFMBN-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "9117", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9117" } }, { "@id": "csc:TUAMRELNJMMDMT-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3,5-dimethylfenol" }, "dbp:inchikey": "TUAMRELNJMMDMT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C8H10O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:7948" }, "skos:broader": { "@id": "csc:CHEMONTID_0001273" }, "dbo:pubchem": { "@value": "7948", "@type": "xsd:int" }, "dbo:smiles": "CC1=CC(=CC(=C1)O)C", "skos:exactMatch": { "@id": "wise:CAS_108-68-9" }, "dbo:inchi": "InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3", "dbo:casNumber": [ "50356-23-5", "108-68-9" ], "dbo:iupacName": { "@language": "en", "@value": "3,5-Dimethylphenol" }, "skos:notation": "35DC1yFol" }, { "@id": "csc:UQMGJOKDKOLIDP-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_32598-13-3" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "PCB77" }, { "@language": "nl", "@value": "pcb 77" }, { "@language": "nl", "@value": "3,3',4,4'-tetrachloorbifenyl" }, { "@language": "nl", "@value": "3,3',4,4'-tetrachloorbifenyl (pcb77)" } ], "skos:notation": "PCB77", "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C=C2)Cl)Cl)Cl)Cl", "dbo:formula": "C12H6Cl4", "dbo:casNumber": [ "80333-65-9", "32598-13-3" ], "dbo:inchi": "InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H", "dbo:iupacName": { "@language": "en", "@value": "1,2-dichloro-4-(3,4-dichlorophenyl)benzene" }, "dbp:inchikey": "UQMGJOKDKOLIDP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "36187", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:36187" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "skos:prefLabel": { "@language": "nl", "@value": "pcb77" } }, { "@id": "csc:NLBLNZDNOSSGPW-UHFFFAOYSA-N", "dbo:casNumber": [ "68928-80-3", "113172-79-5", "139598-16-6" ], "skos:exactMatch": { "@id": "wise:CAS_68928-80-3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "NLBLNZDNOSSGPW-UHFFFAOYSA-N", "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", "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "skos:prefLabel": { "@language": "nl", "@value": "heptabroomdifenylether" }, "rdfs:seeAlso": { "@id": "compound:3034400" }, "dbo:smiles": "C1=CC(=C(C(=C1)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br", "dbo:formula": "C12H3Br7O", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-(2,3-dibromophenoxy)benzene" }, "dbo:pubchem": { "@value": "3034400", "@type": "xsd:int" } }, { "@id": "csc:YCOXTKKNXUZSKD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "3,4-Dimethylphenol" }, "dbp:inchikey": "YCOXTKKNXUZSKD-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_95-65-8" }, "dbo:smiles": "CC1=C(C=C(C=C1)O)C", "rdfs:seeAlso": { "@id": "compound:7249" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dimethylfenol" }, "dbo:pubchem": { "@value": "7249", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "34DC1yFol", "skos:broader": { "@id": "csc:CHEMONTID_0001275" }, "dbo:casNumber": "95-65-8", "dbo:formula": "C8H10O", "dbo:inchi": "InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3" }, { "@id": "csc:IVSZLXZYQVIEFR-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7929", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "m-xyleen" }, { "@language": "nl", "@value": "1,3-xyleen" }, { "@language": "nl", "@value": "1,3-Dimethylbenzeen" } ], "dbo:casNumber": "108-38-3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_108-38-3" }, "rdfs:seeAlso": { "@id": "compound:7929" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'xylenen'" }, "skos:prefLabel": { "@language": "nl", "@value": "meta-xyleen" }, "dbo:iupacName": { "@language": "en", "@value": "1,3-Dimethylbenzene" }, "dbp:inchikey": "IVSZLXZYQVIEFR-UHFFFAOYSA-N", "dbo:formula": "C8H10", "skos:broader": { "@id": "csc:CHEMONTID_0004209" }, "skos:notation": "13xyln", "dbo:inchi": "InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3", "dbo:smiles": "CC1=CC(=CC=C1)C" }, { "@id": "csc:QGZKDVFQNNGYKY-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ammoniak" }, "dbo:casNumber": [ "17778-88-0", "214478-05-4", "7664-41-7", "15194-15-7", "13774-92-0", "8007-57-6", "208990-07-2" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NH3'" }, { "@language": "nl", "@value": "VLAR II (D2/D5) 'ammoniak' en 'ammoniak (NH3)' en 'NH3'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'ammoniak'" } ], "skos:altLabel": { "@language": "nl", "@value": "ammoniak (NH3)" }, "dbo:pubchem": { "@value": "222", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "dbp:inchikey": "QGZKDVFQNNGYKY-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:222" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "['$l^{1}-azane', 'azane']" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "H3N", "skos:notation": "NH3", "dbo:inchi": "InChI=1S/H3N/h1H3", "dbo:smiles": "N", "skos:exactMatch": { "@id": "wise:CAS_7664-41-7" } }, { "@id": "csc:ODLMAHJVESYWTB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "propylbenzeen" }, { "@language": "nl", "@value": "n-propylbenzeen" } ], "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbp:inchikey": "ODLMAHJVESYWTB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_103-65-1" }, "dbo:pubchem": { "@value": "7668", "@type": "xsd:int" }, "dbo:formula": "C9H12", "rdfs:seeAlso": { "@id": "compound:7668" }, "dbo:smiles": "CCCC1=CC=CC=C1", "skos:prefLabel": { "@language": "nl", "@value": "1-propylbenzeen" }, "skos:notation": "1C3yBen", "dbo:iupacName": { "@language": "en", "@value": "Propylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "74296-31-4", "103-65-1" ], "dbo:inchi": "InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3" }, { "@id": "csc:WLZRMCYVCSSEQC-UHFFFAOYSA-N", "dbo:casNumber": [ "7440-43-9", "22537-48-0" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en de verbindingen daarvan, uitgedrukt als cadmium (Cd)" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cd'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR Bijl. 2.5.2 en bijl. 2.5.8.1. 'cadmium'" }, { "@language": "nl", "@value": "VLAR II (D2) 'cadmium'" }, { "@language": "nl", "@value": "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'" } ], "skos:altLabel": { "@language": "nl", "@value": "Cadmium (Cd)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_7440-43-9" }, "dbo:formula": "Cd+2", "dbo:pubchem": { "@value": "31193", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cd/q+2", "rdfs:seeAlso": { "@id": "compound:31193" }, "dbo:smiles": "[Cd+2]", "dbp:inchikey": "WLZRMCYVCSSEQC-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cadmium" }, "dbo:iupacName": { "@language": "en", "@value": "cadmium(+2) cation" }, "skos:notation": "Cd", "skos:definition": { "@language": "nl", "@value": "cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)" } }, { "@id": "csc:SQFLFRQWPBEDHM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6975" }, "dbo:pubchem": { "@value": "6975", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "89-59-8", "dbo:formula": "C7H6ClNO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_89-59-8" }, "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3", "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-2-nitrotolueen" }, "dbp:inchikey": "SQFLFRQWPBEDHM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-chloro-1-methyl-2-nitrobenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "skos:notation": "4Cl2NO2Tol" }, { "@id": "csc:ZPQOPVIELGIULI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dichloorbenzeen" }, "dbp:inchikey": "ZPQOPVIELGIULI-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H4Cl2", "dbo:inchi": "InChI=1S/C6H4Cl2/c7-5-2-1-3-6(8)4-5/h1-4H", "dbo:pubchem": { "@value": "10943", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=CC(=C1)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichlorobenzene" }, "skos:notation": "13DClBen", "dbo:casNumber": [ "541-73-1", "63697-17-6" ], "skos:exactMatch": { "@id": "wise:CAS_541-73-1" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "rdfs:seeAlso": { "@id": "compound:10943" } }, { "@id": "csc:FSAVDKDHPDSCTO-WQLSENKSSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "cis-chloorfenvinfos" }, "dbo:casNumber": [ "135373-33-0", "18708-87-7" ], "dbo:formula": "C12H14Cl3O4P", "dbo:pubchem": { "@value": "5377784", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_18708-87-7" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "FSAVDKDHPDSCTO-WQLSENKSSA-N", "dbo:smiles": "CCOP(=O)(OCC)OC(=CCl)C1=C(C=C(C=C1)Cl)Cl", "skos:altLabel": { "@language": "nl", "@value": "Alfa-chloorfenvinfos" }, "skos:notation": "aClfvfs", "rdfs:seeAlso": { "@id": "compound:5377784" }, "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": { "@language": "en", "@value": "['[2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate', '[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate']" } }, { "@id": "csc:OAICVXFJPJFONN-UHFFFAOYSA-N", "dbo:casNumber": "7723-14-0", "dbo:inchi": "InChI=1S/P", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "OAICVXFJPJFONN-UHFFFAOYSA-N", "dbo:formula": "P", "skos:prefLabel": { "@language": "nl", "@value": "fosfor" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[P]", "skos:exactMatch": { "@id": "wise:CAS_7723-14-0" }, "dbo:iupacName": { "@language": "en", "@value": "Phosphorus" }, "dbo:pubchem": { "@value": "5462309", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "rdfs:seeAlso": { "@id": "compound:5462309" } }, { "@id": "csc:CFKMVGJGLGKFKI-UHFFFAOYSA-N", "dbo:formula": "C7H7ClO", "skos:broader": { "@id": "csc:CHEMONTID_0001273" }, "skos:exactMatch": { "@id": "wise:CAS_59-50-7" }, "dbo:pubchem": { "@value": "1732", "@type": "xsd:int" }, "skos:notation": "4Cl3C1yFol", "dbo:casNumber": "59-50-7", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-3-methylphenol" }, "dbp:inchikey": "CFKMVGJGLGKFKI-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H7ClO/c1-5-4-6(9)2-3-7(5)8/h2-4,9H,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-3-methylfenol" }, "rdfs:seeAlso": { "@id": "compound:1732" }, "dbo:smiles": "CC1=C(C=CC(=C1)O)Cl" }, { "@id": "csc:YNPNZTXNASCQKK-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_85-01-8" }, "skos:prefLabel": { "@language": "nl", "@value": "fenantreen" }, "dbo:pubchem": { "@value": "995", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Phenanthrene" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:995" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=CC=CC=C32", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Fen", "dbp:inchikey": "YNPNZTXNASCQKK-UHFFFAOYSA-N", "dbo:casNumber": "85-01-8", "dbo:formula": "C14H10", "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dbo:inchi": "InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H" }, { "@id": "csc:LVYBAQIVPKCOEE-UHFFFAOYSA-N", "dbo:smiles": "C1=C2C(=CC(=C1Cl)Cl)OC3=C2C(=C(C(=C3Cl)Cl)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C12H2Cl6O", "skos:notation": "PCDF118", "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzofuraan (hxcdf)" }, { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzofuran" }, { "@language": "nl", "@value": " 1,2,3,4,7,8-hexachloordibenzofuraan" } ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" }, { "@language": "nl", "@value": "VLAR II+ bijlagen" } ], "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,4,7,8-hexachloordibenzofuraan" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,7,8-HEXACHLORODIBENZOFURAN" }, "rdfs:seeAlso": { "@id": "compound:51130" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "skos:exactMatch": { "@id": "wise:CAS_70648-26-9" }, "dbp:inchikey": "LVYBAQIVPKCOEE-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H2Cl6O/c13-4-1-3-6(2-5(4)14)19-12-7(3)8(15)9(16)10(17)11(12)18/h1-2H", "dbo:pubchem": { "@value": "51130", "@type": "xsd:int" }, "dbo:casNumber": "70648-26-9" }, { "@id": "csc:OEJNXTAZZBRGDN-UHFFFAOYSA-N", "dbo:formula": "C10H8Cl8", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "OEJNXTAZZBRGDN-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "toxafeen" }, "skos:notation": "toxafn", "dbo:pubchem": { "@value": "5284469", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5284469" }, "skos:broader": { "@id": "csc:CHEMONTID_0001564" }, "skos:exactMatch": { "@id": "wise:CAS_8001-35-2" }, "dbo:casNumber": "8001-35-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2", "dbo:smiles": "C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,7,7-hexachloro-6,6-bis(chloromethyl)-5-methylidenebicyclo[2.2.1]heptane" } }, { "@id": "csc:JXSJBGJIGXNWCI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "malathion" }, "dbo:iupacName": { "@language": "en", "@value": "diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000324" }, "skos:exactMatch": { "@id": "wise:CAS_121-75-5" }, "dbo:smiles": "CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC", "dbo:casNumber": [ "121-75-5", "11096-67-6" ], "dbo:formula": "C10H19O6PS2", "rdfs:seeAlso": { "@id": "compound:4004" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "4004", "@type": "xsd:int" }, "skos:notation": "malton", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "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", "dbp:inchikey": "JXSJBGJIGXNWCI-UHFFFAOYSA-N" }, { "@id": "csc:CIOAGBVUUVVLOB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/Sr", "skos:notation": "Sr", "dbo:iupacName": { "@language": "en", "@value": "STRONTIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000428" }, "dbo:formula": "Sr", "dbo:smiles": "[Sr]", "dbp:inchikey": "CIOAGBVUUVVLOB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_7440-24-6" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:5359327" }, "skos:prefLabel": { "@language": "nl", "@value": "strontium" }, "dbo:pubchem": { "@value": "5359327", "@type": "xsd:int" }, "dbo:casNumber": "7440-24-6" }, { "@id": "csc:RDYMFSUJUZBWLH-GDSHQCHSSA-N", "dbo:casNumber": [ "29106-31-8", "19595-59-6", "12640-58-3", "959-98-8", "33213-66-0" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "C1C2C(COS(=O)O1)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "RDYMFSUJUZBWLH-GDSHQCHSSA-N", "skos:exactMatch": { "@id": "wise:CAS_959-98-8" }, "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", "skos:broader": { "@id": "csc:CHEMONTID_0002074" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H6Cl6O3S", "skos:notation": "aedsfn", "skos:prefLabel": { "@language": "nl", "@value": "alfa-endosulfan" }, "dbo:iupacName": { "@language": "en", "@value": "(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" }, "dbo:pubchem": { "@value": "6433227", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:6433227" } }, { "@id": "csc:FOCAUTSVDIKZOP-UHFFFAOYSA-N", "dbo:formula": "C2H3ClO2", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:300" }, "dbo:casNumber": "79-11-8", "dbo:iupacName": { "@language": "en", "@value": "2-chloroacetic acid" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorazijnzuur" }, "skos:notation": "ClHAc", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(C(=O)O)Cl", "dbo:inchi": "InChI=1S/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "skos:exactMatch": { "@id": "wise:CAS_79-11-8" }, "dbo:pubchem": { "@value": "300", "@type": "xsd:int" }, "dbp:inchikey": "FOCAUTSVDIKZOP-UHFFFAOYSA-N" }, { "@id": "csc:LQNUZADURLCDLV-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C6H5NO2", "dbo:pubchem": { "@value": "7416", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:casNumber": [ "26969-40-4", "98-95-3" ], "rdfs:seeAlso": { "@id": "compound:7416" }, "skos:notation": "NO2Ben", "dbo:iupacName": { "@language": "en", "@value": "['Nitrobenzene', 'N-oxido-N-phenylhydroxylamine', 'N,N-dihydroxyaniline']" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "nitrobenzeen" }, "dbo:inchi": "InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H", "skos:exactMatch": { "@id": "wise:CAS_98-95-3" }, "dbo:smiles": "C1=CC=C(C=C1)[N+](=O)[O-]", "dbp:inchikey": "LQNUZADURLCDLV-UHFFFAOYSA-N" }, { "@id": "csc:BTJIUGUIPKRLHP-UHFFFAOYSA-N", "skos:notation": "4NO2Fol", "dbo:casNumber": "100-02-7", "dbo:inchi": "InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H", "skos:prefLabel": { "@language": "nl", "@value": "4-nitrofenol" }, "dbo:pubchem": { "@value": "980", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=CC=C1[N+](=O)[O-])O", "skos:broader": { "@id": "csc:CHEMONTID_0000141" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:980" }, "skos:exactMatch": { "@id": "wise:CAS_100-02-7" }, "dbp:inchikey": "BTJIUGUIPKRLHP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-Nitrophenol" }, "dbo:formula": "C6H5NO3", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:LHHGDZSESBACKH-UHFFFAOYSA-N", "dbo:casNumber": "143-50-0", "dbp:inchikey": "LHHGDZSESBACKH-UHFFFAOYSA-N", "dbo:formula": "C10Cl10O", "dbo:inchi": "InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20", "rdfs:seeAlso": { "@id": "compound:299" }, "dbo:pubchem": { "@value": "299", "@type": "xsd:int" }, "dbo:smiles": "C1(=O)C2(C3(C4(C1(C5(C2(C3(C(C45Cl)(Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.02,6.03,9.04,8]decan-5-one" }, "skos:prefLabel": { "@language": "nl", "@value": "chloordecone" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "cldcne", "skos:exactMatch": { "@id": "wise:CAS_143-50-0" }, "skos:broader": { "@id": "csc:CHEMONTID_0001549" }, "skos:altLabel": { "@language": "nl", "@value": "chloordecon" } }, { "@id": "csc:BJQHLKABXJIVAM-UHFFFAOYSA-N", "dbo:casNumber": [ "8033-53-2", "205180-59-2", "40120-69-2", "137718-37-7", "50885-87-5", "126639-29-0", "15495-94-0", "275818-89-8", "82208-43-3", "117-81-7" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "8343", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "di(2-ethylhexyl)-ftalaat (dehp)" }, { "@language": "nl", "@value": "bis(2-ethylhexyl)ftalaat (DEHP)" }, { "@language": "nl", "@value": "bis-(2-ethylhexyl)-ftalaat" } ], "dbo:inchi": "InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3", "dbp:inchikey": "BJQHLKABXJIVAM-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_117-81-7" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:8343" }, "skos:prefLabel": { "@language": "nl", "@value": "bis(2-ethylhexyl)ftalaat (dehp)" }, "dbo:formula": "C24H38O4", "dbo:smiles": "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC", "skos:notation": "DEHP", "dbo:iupacName": { "@language": "en", "@value": "bis(2-ethylhexyl) benzene-1,2-dicarboxylate" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" } }, { "@id": "csc:FTOVXSOBNPWTSH-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "benzo(b)fluorantheen" }, { "@language": "nl", "@value": "benzo(b)fluorantheen (b)" } ], "dbo:formula": "C20H12", "dbp:inchikey": "FTOVXSOBNPWTSH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "skos:exactMatch": { "@id": "wise:CAS_205-99-2" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C4=CC2=C1", "skos:prefLabel": { "@language": "nl", "@value": "benzo(b)fluoran-teen" }, "dbo:iupacName": { "@language": "en", "@value": "pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene" }, "dbo:pubchem": { "@value": "9153", "@type": "xsd:int" }, "skos:notation": "BbF", "dbo:casNumber": "205-99-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR II (D2)" }, "rdfs:seeAlso": { "@id": "compound:9153" }, "dbo:inchi": "InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H" }, { "@id": "csc:PPBRXRYQALVLMV-UHFFFAOYSA-N", "skos:notation": [ "styrn", "polstyrn" ], "dbo:iupacName": { "@language": "en", "@value": "Ethenylbenzene" }, "skos:prefLabel": { "@language": "nl", "@value": "styreen" }, "dbo:formula": "C8H8", "dbo:casNumber": [ "79637-11-9", "9003-53-6", "12770-88-6", "68441-35-0", "100-42-5", "68987-41-7" ], "skos:altLabel": { "@language": "nl", "@value": "polystyreen" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PPBRXRYQALVLMV-UHFFFAOYSA-N", "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "rdfs:seeAlso": { "@id": "compound:7501" }, "dbo:inchi": "InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2", "skos:broader": { "@id": "csc:CHEMONTID_0000037" }, "dbo:smiles": "C=CC1=CC=CC=C1", "dbo:pubchem": { "@value": "7501", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_100-42-5" } }, { "@id": "csc:YOYAIZYFCNQIRF-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "YOYAIZYFCNQIRF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dichlobenil" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)C#N)Cl", "dbo:iupacName": { "@language": "en", "@value": "2,6-Dichlorobenzonitrile" }, "rdfs:seeAlso": { "@id": "compound:3031" }, "skos:notation": "Dcbnl", "dbo:casNumber": [ "104809-79-2", "1194-65-6" ], "dbo:formula": "C7H3Cl2N", "skos:exactMatch": { "@id": "wise:CAS_1194-65-6" }, "dbo:pubchem": { "@value": "3031", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H", "skos:broader": { "@id": "csc:CHEMONTID_0002564" } }, { "@id": "csc:ORYGKUIDIMIRNN-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-tetrabromo-5-(2,3,4,5-tetrabromophenoxy)benzene" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "octabroomdifenylether" }, "skos:exactMatch": { "@id": "wise:CAS_32536-52-0" }, "dbo:smiles": "C1=C(C(=C(C(=C1Br)Br)Br)Br)OC2=CC(=C(C(=C2Br)Br)Br)Br", "dbo:casNumber": "32536-52-0", "dbp:inchikey": "ORYGKUIDIMIRNN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001845" }, "rdfs:seeAlso": { "@id": "compound:6537506" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6537506", "@type": "xsd:int" }, "dbo:formula": "C12H2Br8O" }, { "@id": "csc:NDSBDLSWTGLNQA-UHFFFAOYSA-N", "dbo:formula": "C2HBr2N", "skos:prefLabel": { "@language": "nl", "@value": "dibroomacetonitril" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "2,2-dibromoacetonitrile" }, "dbo:smiles": "C(#N)C(Br)Br", "skos:broader": { "@id": "csc:CHEMONTID_0000362" }, "dbo:pubchem": { "@value": "18617", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:18617" }, "skos:notation": "DBractntl", "dbo:casNumber": "3252-43-5", "dbo:inchi": "InChI=1S/C2HBr2N/c3-2(4)1-5/h2H", "skos:exactMatch": { "@id": "wise:CAS_3252-43-5" }, "dbp:inchikey": "NDSBDLSWTGLNQA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:KQCMTOWTPBNWDB-UHFFFAOYSA-N", "dbo:casNumber": "554-00-7", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_554-00-7" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:formula": "C6H5Cl2N", "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichloroaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "11123", "@type": "xsd:int" }, "skos:notation": "24DClAn", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2", "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)N", "dbp:inchikey": "KQCMTOWTPBNWDB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:11123" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-dichlooraniline" } }, { "@id": "csc:AKCRQHGQIJBRMN-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "2-chlooraniline" }, "dbo:formula": "C6H6ClN", "dbo:smiles": "C1=CC=C(C(=C1)N)Cl", "dbo:iupacName": { "@language": "en", "@value": "2-Chloroaniline" }, "skos:notation": "2ClAn", "dbo:casNumber": [ "95-51-2", "27134-26-5" ], "dbo:inchi": "InChI=1S/C6H6ClN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2", "skos:prefLabel": { "@language": "nl", "@value": "o-chlooraniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "rdfs:seeAlso": { "@id": "compound:7240" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "7240", "@type": "xsd:int" }, "dbp:inchikey": "AKCRQHGQIJBRMN-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_95-51-2" } }, { "@id": "csc:CVUGPAFCQJIYDT-UHFFFAOYSA-N", "dbo:casNumber": [ "789-02-6", "58633-26-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "CVUGPAFCQJIYDT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:13089" }, "dbo:formula": "C14H9Cl5", "dbo:pubchem": { "@value": "13089", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "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:smiles": "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "o,p’-ddt" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:notation": "24DDT", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene" }, "skos:altLabel": { "@language": "nl", "@value": "2,4'-dichloordifenyltrichloorethaan" }, "skos:exactMatch": { "@id": "wise:CAS_789-02-6" } }, { "@id": "csc:HRBKVYFZANMGRE-UHFFFAOYSA-N", "dbo:smiles": "COP(=S)(OC)OC1=NC(=C(C=C1Cl)Cl)Cl", "dbp:inchikey": "HRBKVYFZANMGRE-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_5598-13-0" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C7H7Cl3NO3PS", "skos:broader": { "@id": "csc:CHEMONTID_0004623" }, "skos:altLabel": [ { "@language": "nl", "@value": "chloorpyrifos-methyl" }, { "@language": "nl", "@value": "methylchloorpyrifos" } ], "skos:notation": "C1yClprfs", "dbo:casNumber": "5598-13-0", "dbo:inchi": "InChI=1S/C7H7Cl3NO3PS/c1-12-15(16,13-2)14-7-5(9)3-4(8)6(10)11-7/h3H,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "dimethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxyphosphorane" }, "skos:prefLabel": { "@language": "nl", "@value": "chlorpyrifos-methyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "21803", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:21803" } }, { "@id": "csc:BZTYNSQSZHARAZ-UHFFFAOYSA-N", "dbo:formula": "C12H7Cl3", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "2,4,4'-trichloorbifenyl (pcb28)" }, { "@language": "nl", "@value": "2,4,4'-trichloorbifenyl" }, { "@language": "nl", "@value": "pcb 28" }, { "@language": "nl", "@value": "pcb-28" } ], "dbo:inchi": "InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H", "dbo:casNumber": "7012-37-5", "dbo:iupacName": { "@language": "en", "@value": "2,4-dichloro-1-(4-chlorophenyl)benzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "rdfs:seeAlso": { "@id": "compound:23448" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "23448", "@type": "xsd:int" }, "dbp:inchikey": "BZTYNSQSZHARAZ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "PCB-28" }, "skos:exactMatch": { "@id": "wise:CAS_7012-37-5" }, "skos:notation": "PCB28", "dbo:smiles": "C1=CC(=CC=C1C2=C(C=C(C=C2)Cl)Cl)Cl" }, { "@id": "csc:QNBTYORWCCMPQP-JXAWBTAJSA-N", "dbo:formula": "C21H22ClNO4", "dbo:inchi": "InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-", "dbp:inchikey": "QNBTYORWCCMPQP-JXAWBTAJSA-N", "dbo:smiles": "COC1=C(C=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CC=C(C=C3)Cl)OC", "dbo:pubchem": { "@value": "5463781", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:5463781" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:notation": "Dmtmf", "dbo:iupacName": { "@language": "en", "@value": "(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one" }, "skos:exactMatch": { "@id": "wise:CAS_110488-70-5" }, "skos:prefLabel": { "@language": "nl", "@value": "dimethomorf" }, "dbo:casNumber": "110488-70-5" }, { "@id": "csc:PWHULOQIROXLJO-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'Mangaan en mangaanverbindingen, uitgedrukt in mangaan (Mn)'" }, { "@language": "nl", "@value": "VLAR II D5 'mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Mn'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'mangaan en zijn verbindingen, uitgedrukt in Mn'" } ], "dbo:casNumber": [ "8031-40-1", "195161-78-5", "17375-02-9", "7439-96-5", "8075-39-6", "22325-60-6", "39303-06-5", "19768-33-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "skos:altLabel": [ { "@language": "nl", "@value": "mangaan" }, { "@language": "nl", "@value": "Mangaan (Mn)" } ], "dbo:iupacName": { "@language": "en", "@value": "Manganese" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "PWHULOQIROXLJO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23930" }, "dbo:smiles": "[Mn]", "dbo:inchi": "InChI=1S/Mn", "skos:definition": { "@language": "nl", "@value": "mangaan en mangaanverbindingen, uitgedrukt als mangaan (Mn)" }, "dbo:pubchem": { "@value": "23930", "@type": "xsd:int" }, "dbo:formula": "Mn", "skos:exactMatch": { "@id": "wise:CAS_7439-96-5" }, "skos:notation": "Mn", "skos:prefLabel": { "@language": "nl", "@value": "mangaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:SDYWXFYBZPNOFX-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "3,4-dichlooraniline" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "34DClAn", "dbo:formula": "C6H5Cl2N", "dbo:smiles": "C1=CC(=C(C=C1N)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "3,4-Dichloroaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "SDYWXFYBZPNOFX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7257" }, "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2", "dbo:casNumber": "95-76-1", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:exactMatch": { "@id": "wise:CAS_95-76-1" }, "dbo:pubchem": { "@value": "7257", "@type": "xsd:int" } }, { "@id": "csc:JDMFXJULNGEPOI-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_608-31-1" }, "rdfs:seeAlso": { "@id": "compound:11846" }, "skos:notation": "26DClAn", "dbp:inchikey": "JDMFXJULNGEPOI-UHFFFAOYSA-N", "dbo:casNumber": [ "51225-19-5", "608-31-1" ], "dbo:iupacName": { "@language": "en", "@value": "2,6-DICHLOROANILINE" }, "skos:prefLabel": { "@language": "nl", "@value": "2,6-dichlooraniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H5Cl2N", "dbo:pubchem": { "@value": "11846", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=CC(=C(C(=C1)Cl)N)Cl" }, { "@id": "csc:QBYJBZPUGVGKQQ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:2087" }, "skos:prefLabel": { "@language": "nl", "@value": "aldrin" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "2087", "@type": "xsd:int" }, "dbo:smiles": "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl", "dbo:formula": "C12H8Cl6", "dbo:iupacName": { "@language": "en", "@value": "1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene" }, "skos:exactMatch": { "@id": "wise:CAS_309-00-2" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:casNumber": "309-00-2", "dbo:inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2", "skos:notation": "aldn", "dbp:inchikey": "QBYJBZPUGVGKQQ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:AVYGCQXNNJPXSS-UHFFFAOYSA-N", "dbo:formula": "C6H5Cl2N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:notation": "25DClAn", "dbo:casNumber": "95-82-9", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,5-Dichloroaniline" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)N)Cl", "dbo:inchi": "InChI=1S/C6H5Cl2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2", "dbp:inchikey": "AVYGCQXNNJPXSS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7262" }, "skos:exactMatch": { "@id": "wise:CAS_95-82-9" }, "dbo:pubchem": { "@value": "7262", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,5-dichlooraniline" } }, { "@id": "csc:FMWLUWPQPKEARP-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6359", "@type": "xsd:int" }, "dbo:casNumber": "75-27-4", "rdfs:seeAlso": { "@id": "compound:6359" }, "dbo:iupacName": { "@language": "en", "@value": "bromo-dichloromethane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(Cl)(Cl)Br", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/CHBrCl2/c2-1(3)4/h1H", "skos:notation": "DClBrC1a", "dbp:inchikey": "FMWLUWPQPKEARP-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "broomdichloormethaan" }, "skos:broader": { "@id": "csc:CHEMONTID_0004160" }, "skos:exactMatch": { "@id": "wise:CAS_75-27-4" }, "dbo:formula": "CHBrCl2", "skos:prefLabel": { "@language": "nl", "@value": "dichloorbroommethaan" } }, { "@id": "csc:XGCHAIDDPMFRLJ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2,3,6-TRICHLOROPHENOL" }, "skos:exactMatch": { "@id": "wise:CAS_933-75-5" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,6-trichloorfenol" }, "skos:notation": "236TClFol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "933-75-5", "rdfs:seeAlso": { "@id": "compound:13618" }, "dbp:inchikey": "XGCHAIDDPMFRLJ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002771" }, "dbo:pubchem": { "@value": "13618", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C(=C1Cl)O)Cl)Cl", "dbo:formula": "C6H3Cl3O", "dbo:inchi": "InChI=1S/C6H3Cl3O/c7-3-1-2-4(8)6(10)5(3)9/h1-2,10H" }, { "@id": "csc:BQCADISMDOOEFD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:23954" }, "dbo:casNumber": [ "15046-91-0", "87370-84-1", "7440-22-4", "12553-68-3", "87354-45-8" ], "dbo:iupacName": { "@language": "en", "@value": "Silver" }, "dbo:inchi": "InChI=1S/Ag", "dbo:smiles": "[Ag]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_7440-22-4" }, "dbo:pubchem": { "@value": "23954", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "zilver" }, "dbp:inchikey": "BQCADISMDOOEFD-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:formula": "Ag", "skos:notation": "Ag" }, { "@id": "csc:RYGMFSIKBFXOCR-UHFFFAOYSA-N", "dbo:casNumber": [ "7440-50-8", "195161-80-9", "133353-46-5", "65555-90-0", "72514-83-1", "133353-47-6" ], "dbo:formula": "Cu", "dbo:pubchem": { "@value": "23978", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:exactMatch": { "@id": "wise:CAS_7440-50-8" }, "dbp:inchikey": "RYGMFSIKBFXOCR-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Cu", "dbo:smiles": "[Cu]", "dbo:inchi": "InChI=1S/Cu", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "rdfs:seeAlso": { "@id": "compound:23978" }, "dbo:iupacName": { "@language": "en", "@value": "Copper" }, "skos:prefLabel": { "@language": "nl", "@value": "koper" } }, { "@id": "csc:AFCAKJKUYFLYFK-UHFFFAOYSA-N", "dbo:smiles": "CCCC[Sn](CCCC)(CCCC)CCCC", "dbo:formula": "C16H36Sn", "skos:prefLabel": { "@language": "nl", "@value": "tetrabutyltin" }, "skos:broader": { "@id": "csc:CHEMONTID_0004347" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Tetrabutylstannane" }, "skos:notation": "T4C4ySn", "dbo:inchi": "InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;", "dbo:pubchem": { "@value": "15098", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:15098" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "tetrabutyltin (tebt)" }, "dbp:inchikey": "AFCAKJKUYFLYFK-UHFFFAOYSA-N", "dbo:casNumber": "1461-25-2", "skos:exactMatch": { "@id": "wise:CAS_1461-25-2" } }, { "@id": "csc:ZOMSMJKLGFBRBS-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,2-dioxo-3-propan-2-yl-1H-benzo[d][1,2,6]thiadiazin-4-one" }, "dbo:casNumber": [ "21723-40-0", "58856-82-9", "25057-89-0", "12705-05-4" ], "dbo:formula": "C10H12N2O3S", "skos:altLabel": { "@language": "nl", "@value": "bentazone" }, "dbo:smiles": "CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O", "dbo:pubchem": { "@value": "2328", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:2328" }, "skos:prefLabel": { "@language": "nl", "@value": "bentazon" }, "skos:broader": { "@id": "csc:CHEMONTID_0002448" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C10H12N2O3S/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15/h3-7,11H,1-2H3", "skos:notation": "bentzn", "dbp:inchikey": "ZOMSMJKLGFBRBS-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_25057-89-0" } }, { "@id": "csc:DGLIBALSRMUQDD-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3", "skos:altLabel": { "@language": "nl", "@value": "demeton-O" }, "rdfs:seeAlso": { "@id": "compound:9273" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "DGLIBALSRMUQDD-UHFFFAOYSA-N", "dbo:smiles": "CCOP(=S)(OCC)OCCSCC", "dbo:iupacName": { "@language": "en", "@value": "diethoxy-(2-ethylsulfanylethoxy)-sulfanylidenephosphorane" }, "skos:prefLabel": { "@language": "nl", "@value": "demeton-o" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:exactMatch": { "@id": "wise:CAS_298-03-3" }, "skos:notation": "demtnO", "skos:broader": { "@id": "csc:CHEMONTID_0003384" }, "dbo:pubchem": { "@value": "9273", "@type": "xsd:int" }, "dbo:casNumber": "298-03-3", "dbo:formula": "C8H19O3PS2" }, { "@id": "csc:TWFZGCMQGLPBSX-UHFFFAOYSA-N", "dbo:casNumber": [ "37953-07-4", "110342-67-1", "59758-95-1", "212384-28-6", "10605-21-7", "105268-95-9", "63090-40-4", "39413-19-9", "63278-70-6", "102040-01-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C9H9N3O2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "methyl N-(1H-benzimidazol-2-yl)carbamate" }, "dbo:smiles": "COC(=O)NC1=NC2=CC=CC=C2N1", "dbo:pubchem": { "@value": "25429", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:25429" }, "dbp:inchikey": "TWFZGCMQGLPBSX-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)", "skos:prefLabel": { "@language": "nl", "@value": "carbendazim" }, "skos:exactMatch": { "@id": "wise:CAS_10605-21-7" }, "skos:notation": "carbdzm", "skos:broader": { "@id": "csc:CHEMONTID_0004711" } }, { "@id": "csc:NNKVPIKMPCQWCG-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "(amino-methylsulfanylphosphoryl)oxymethane" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)", "dbo:casNumber": [ "115182-35-9", "65960-97-6", "10265-92-6" ], "skos:exactMatch": { "@id": "wise:CAS_10265-92-6" }, "dbo:formula": "C2H8NO2PS", "dbp:inchikey": "NNKVPIKMPCQWCG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "COP(=O)(N)SC", "skos:notation": "mtmdfs", "dbo:pubchem": { "@value": "4096", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:4096" }, "skos:broader": { "@id": "csc:CHEMONTID_0004665" }, "skos:prefLabel": { "@language": "nl", "@value": "methamidofos" } }, { "@id": "csc:BZHJMEDXRYGGRV-UHFFFAOYSA-N", "skos:notation": "ClC2e", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II Art. 5.7.7.1" }, { "@language": "nl", "@value": "VLAREM bijlage 2.5.1 'monovinylchloride'" }, { "@language": "nl", "@value": "VLAR III (D3) 'vinylchloride'" }, { "@language": "nl", "@value": "VLAREM II bijlage 4.4.2" } ], "dbo:pubchem": { "@value": "6338", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "vinylchloride" }, { "@language": "nl", "@value": "chlooretheen (vinylchloride)" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C2H3Cl", "dbo:inchi": "InChI=1S/C2H3Cl/c1-2-3/h2H,1H2", "skos:prefLabel": { "@language": "nl", "@value": "vinylchloride " }, "skos:exactMatch": { "@id": "wise:CAS_75-01-4" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "rdfs:seeAlso": { "@id": "compound:6338" }, "dbp:inchikey": "BZHJMEDXRYGGRV-UHFFFAOYSA-N", "dbo:casNumber": [ "75-01-4", "9002-86-2" ], "dbo:iupacName": { "@language": "en", "@value": "Chloroethene" }, "dbo:smiles": "C=CCl" }, { "@id": "csc:XKJMBINCVNINCA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "linrn", "skos:prefLabel": { "@language": "nl", "@value": "linuron" }, "dbo:inchi": "InChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)", "dbo:casNumber": [ "56645-87-5", "330-55-2" ], "dbo:smiles": "CN(C(=O)NC1=CC(=C(C=C1)Cl)Cl)OC", "dbo:iupacName": { "@language": "en", "@value": "3-(3,4-Dichlorophenyl)-1-methoxy-1-methylurea" }, "rdfs:seeAlso": { "@id": "compound:9502" }, "skos:exactMatch": { "@id": "wise:CAS_330-55-2" }, "dbo:pubchem": { "@value": "9502", "@type": "xsd:int" }, "dbp:inchikey": "XKJMBINCVNINCA-UHFFFAOYSA-N", "dbo:formula": "C9H10Cl2N2O2", "skos:broader": { "@id": "csc:CHEMONTID_0001935" } }, { "@id": "csc:MGRVRXRGTBOSHW-UHFFFAOYSA-N", "dbp:inchikey": "MGRVRXRGTBOSHW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "AMINOMETHYLPHOSPHONIC ACID" }, "dbo:smiles": "C(N)P(=O)(O)O", "skos:prefLabel": { "@language": "nl", "@value": "aminomethylfosfonzuur" }, "dbo:formula": "CH6NO3P", "skos:notation": "AMPA", "dbo:casNumber": "1066-51-9", "skos:exactMatch": { "@id": "wise:CAS_1066-51-9" }, "rdfs:seeAlso": { "@id": "compound:14017" }, "skos:altLabel": { "@language": "nl", "@value": "ampa" }, "skos:broader": { "@id": "csc:CHEMONTID_0001302" }, "dbo:inchi": "InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14017", "@type": "xsd:int" } }, { "@id": "csc:CFXQEHVMCRXUSD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": "96-18-4", "skos:prefLabel": { "@language": "nl", "@value": "1,2,3-trichloorpropaan" }, "dbo:inchi": "InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2", "skos:exactMatch": { "@id": "wise:CAS_96-18-4" }, "skos:notation": "123TClC3a", "dbo:smiles": "C(C(CCl)Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbp:inchikey": "CFXQEHVMCRXUSD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2,3-Trichloropropane" }, "dbo:pubchem": { "@value": "7285", "@type": "xsd:int" }, "dbo:formula": "C3H5Cl3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:7285" } }, { "@id": "csc:JFALSRSLKYAFGM-UHFFFAOYSA-N", "dbo:smiles": "[U]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "13598-56-6", "16089-60-4", "24678-82-8", "7440-61-1", "22541-40-8" ], "rdfs:seeAlso": { "@id": "compound:23989" }, "skos:prefLabel": { "@language": "nl", "@value": "uranium" }, "skos:notation": [ "U238", "U" ], "skos:altLabel": { "@language": "nl", "@value": "Uranium 238" }, "dbo:formula": "U", "dbo:pubchem": { "@value": "23989", "@type": "xsd:int" }, "dbp:inchikey": "JFALSRSLKYAFGM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "URANIUM" }, "skos:exactMatch": { "@id": "wise:CAS_7440-61-1" }, "dbo:inchi": "InChI=1S/U", "skos:broader": { "@id": "csc:CHEMONTID_0000430" } }, { "@id": "csc:YTZKOQUCBOVLHL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7366", "@type": "xsd:int" }, "dbp:inchikey": "YTZKOQUCBOVLHL-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "skos:exactMatch": { "@id": "wise:CAS_98-06-6" }, "skos:notation": "ttC4yBen", "dbo:iupacName": { "@language": "en", "@value": "tert-Butylbenzene" }, "skos:altLabel": { "@language": "nl", "@value": "tert-butylbenzeen" }, "skos:prefLabel": { "@language": "nl", "@value": "tertiair-butylbenzeen" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C10H14", "dbo:casNumber": "98-06-6", "rdfs:seeAlso": { "@id": "compound:7366" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)(C)C1=CC=CC=C1", "dbo:inchi": "InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3" }, { "@id": "csc:MWBPRDONLNQCFV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "triallaat" }, "dbo:smiles": "CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:exactMatch": { "@id": "wise:CAS_2303-17-5" }, "dbo:iupacName": { "@language": "en", "@value": "S-(2,3,3-trichloroprop-2-enyl) (di(propan-2-yl)amino)methanethioate" }, "skos:broader": { "@id": "csc:CHEMONTID_0001368" }, "dbo:formula": "C10H16Cl3NOS", "dbo:pubchem": { "@value": "5543", "@type": "xsd:int" }, "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", "dbp:inchikey": "MWBPRDONLNQCFV-UHFFFAOYSA-N", "skos:notation": "Talt", "dbo:casNumber": "2303-17-5", "rdfs:seeAlso": { "@id": "compound:5543" } }, { "@id": "csc:IOVCWXUNBOPUCH-UHFFFAOYSA-M", "dbo:casNumber": [ "114466-53-4", "12183-96-9", "14797-65-0" ], "dbo:pubchem": { "@value": "946", "@type": "xsd:int" }, "dbo:formula": "NO2-", "skos:prefLabel": { "@language": "nl", "@value": "nitriet" }, "rdfs:seeAlso": { "@id": "compound:946" }, "dbo:iupacName": { "@language": "en", "@value": "NITRITE" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001061" }, "skos:notation": "NO2", "skos:exactMatch": { "@id": "wise:CAS_14797-65-0" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1", "dbp:inchikey": "IOVCWXUNBOPUCH-UHFFFAOYSA-M", "dbo:smiles": "N(=O)[O-]" }, { "@id": "csc:RHPUJHQBPORFGV-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-2-methylphenol" }, "dbo:casNumber": "1570-64-5", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)O", "skos:notation": "4Cl2C1yFol", "dbp:inchikey": "RHPUJHQBPORFGV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:14855" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0001274" }, "dbo:pubchem": { "@value": "14855", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "4-chloor-2-methylfenol" }, "dbo:formula": "C7H7ClO", "skos:exactMatch": { "@id": "wise:CAS_1570-64-5" } }, { "@id": "csc:WKBPZYKAUNRMKP-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole" }, "skos:notation": "pencnzl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "66246-88-6", "87501-25-5" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C13H15Cl2N3", "skos:prefLabel": { "@language": "nl", "@value": "penconazole" }, "dbp:inchikey": "WKBPZYKAUNRMKP-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:91693" }, "dbo:smiles": "CCCC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl", "dbo:pubchem": { "@value": "91693", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:altLabel": { "@language": "nl", "@value": "penconazool" }, "skos:exactMatch": { "@id": "wise:CAS_66246-88-6" }, "dbo:inchi": "InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3" }, { "@id": "csc:NEHMKBQYUWJMIP-UHFFFAOYSA-N", "dbo:casNumber": [ "74-87-3", "2108-20-5" ], "skos:exactMatch": { "@id": "wise:CAS_74-87-3" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6327" }, "dbo:smiles": "CCl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "ClC1a", "dbo:pubchem": { "@value": "6327", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/CH3Cl/c1-2/h1H3", "dbo:iupacName": { "@language": "en", "@value": "Chloromethane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:formula": "CH3Cl", "dbp:inchikey": "NEHMKBQYUWJMIP-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "chloormethaan" } }, { "@id": "csc:IEDVJHCEMCRBQM-UHFFFAOYSA-N", "dbo:smiles": "COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N", "dbo:formula": "C14H18N4O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18)", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "Tmtpm", "dbo:casNumber": "738-70-5", "skos:prefLabel": { "@language": "nl", "@value": "trimethoprim" }, "dbo:pubchem": { "@value": "5578", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine" }, "dbp:inchikey": "IEDVJHCEMCRBQM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000138" }, "rdfs:seeAlso": { "@id": "compound:5578" }, "skos:exactMatch": { "@id": "wise:CAS_738-70-5" } }, { "@id": "csc:VZGDMQKNWNREIO-UHFFFAOYSA-N", "dbo:casNumber": "56-23-5", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) " }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" } ], "skos:prefLabel": { "@language": "nl", "@value": "koolstoftetrachloride" }, "skos:altLabel": [ { "@language": "nl", "@value": "tetrachloormethaan" }, { "@language": "nl", "@value": "tetrachloormethaan (tetra)" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "Tetrachloromethane" }, "rdfs:seeAlso": { "@id": "compound:5943" }, "dbo:smiles": "C(Cl)(Cl)(Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/CCl4/c2-1(3,4)5", "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:formula": "CCl4", "dbo:pubchem": { "@value": "5943", "@type": "xsd:int" }, "skos:exactMatch": { "@id": "wise:CAS_56-23-5" }, "skos:notation": "T4ClC1a", "dbp:inchikey": "VZGDMQKNWNREIO-UHFFFAOYSA-N" }, { "@id": "csc:BFPYWIDHMRZLRN-SLHNCBLASA-N", "skos:prefLabel": { "@language": "nl", "@value": "17-alfa-ethinylestradiol" }, "skos:altLabel": { "@language": "nl", "@value": "ethinylestradiol" }, "dbo:pubchem": { "@value": "5991", "@type": "xsd:int" }, "skos:notation": "etnetDol", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "BFPYWIDHMRZLRN-SLHNCBLASA-N", "dbo:casNumber": [ "77538-56-8", "57-63-6" ], "dbo:inchi": "InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1", "skos:exactMatch": { "@id": "wise:CAS_57-63-6" }, "dbo:formula": "C20H24O2", "dbo:smiles": "CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O", "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol" }, "skos:broader": { "@id": "csc:CHEMONTID_0003570" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5991" } }, { "@id": "csc:ZLSWBLPERHFHIS-UHFFFAOYSA-N", "dbo:formula": "C9H7Cl3O3", "dbo:casNumber": [ "7361-37-7", "32795-97-4", "93-72-1" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "2-(2,4,5-trichlorophenoxy)propanoic acid" }, "dbo:pubchem": { "@value": "7158", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "fenoprop" }, "skos:altLabel": { "@language": "nl", "@value": "2,4,5-trichloorfenoxypropionzuur" }, "skos:broader": { "@id": "csc:CHEMONTID_0004676" }, "skos:exactMatch": { "@id": "wise:CAS_93-72-1" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "245TP", "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)", "dbp:inchikey": "ZLSWBLPERHFHIS-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7158" }, "dbo:smiles": "CC(C(=O)O)OC1=CC(=C(C=C1Cl)Cl)Cl" }, { "@id": "csc:WYKYKTKDBLFHCY-UHFFFAOYSA-N", "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:pubchem": { "@value": "15546", "@type": "xsd:int" }, "skos:notation": "Clidzn", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_1698-60-8" }, "dbo:casNumber": [ "58858-18-7", "1698-60-8" ], "dbo:smiles": "C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)N)Cl", "skos:prefLabel": { "@language": "nl", "@value": "chloridazon (pyrazon)" }, "dbo:iupacName": { "@language": "en", "@value": "5-amino-4-chloro-2-phenylpyridazin-3-one" }, "dbp:inchikey": "WYKYKTKDBLFHCY-UHFFFAOYSA-N", "dbo:formula": "C10H8ClN3O", "rdfs:seeAlso": { "@id": "compound:15546" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000208" }, "skos:altLabel": { "@language": "nl", "@value": "chloridazon" } }, { "@id": "csc:WABPQHHGFIMREM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Lead" }, "skos:prefLabel": { "@language": "nl", "@value": "lood" }, "skos:notation": "Pb", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR bijl. 2.5.2. 'lood'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'lood en zijn verbindingen, uitgedrukt in Pb'" }, { "@language": "nl", "@value": "VLAR III (D3) 'lood en loodverbindingen, uitgedrukt als lood (Pb)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'lood en zijn verbindingen, uitgedrukt in/als Pb' 'lood en loodverbindingen, uitgedrukt als lood (Pb)'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Pb'" }, { "@language": "nl", "@value": "VLAR III (D3) 'lood-verbindingen, uitgedrukt als Pb'" }, { "@language": "nl", "@value": "VLAR II (D2), diverse artikels 'lood'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'lood en zijn verbindingen, uitgedrukt in Pb'" } ], "dbp:inchikey": "WABPQHHGFIMREM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Pb", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "skos:definition": { "@language": "nl", "@value": "lood en loodverbindingen, uitgedrukt als lood (Pb)" }, "dbo:casNumber": [ "54076-28-7", "14701-27-0", "15158-12-0", "724427-66-1", "7439-92-1" ], "dbo:smiles": "[Pb]", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/Pb", "dbo:pubchem": { "@value": "5352425", "@type": "xsd:int" }, "skos:altLabel": [ { "@language": "nl", "@value": "lood" }, { "@language": "nl", "@value": "lood (Pb)" } ], "rdfs:seeAlso": { "@id": "compound:5352425" }, "skos:exactMatch": { "@id": "wise:CAS_7439-92-1" } }, { "@id": "csc:NFMIMWNQWAWNDW-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004105" }, "skos:notation": "2HOxatzne", "skos:exactMatch": { "@id": "wise:CAS_2163-68-0" }, "dbo:casNumber": "2163-68-0", "dbo:iupacName": { "@language": "en", "@value": "4-ethylamino-6-(propan-2-ylamino)-5H-1,3,5-triazin-2-one" }, "skos:altLabel": { "@language": "nl", "@value": "2-hydroxy-atrazine" }, "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)", "dbp:inchikey": "NFMIMWNQWAWNDW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:16553" }, "dbo:formula": "C8H15N5O", "dbo:pubchem": { "@value": "16553", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-hydroxyatrazine" }, "dbo:smiles": "CCNC1=NC(=O)N=C(N1)NC(C)C" }, { "@id": "csc:UCNVFOCBFJOQAL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene" }, "dbo:casNumber": [ "68679-99-2", "12002-54-9", "72-55-9" ], "skos:prefLabel": { "@language": "nl", "@value": "pp'dichloordifenyldichlooretheen" }, "dbo:smiles": "C1=CC(=CC=C1C(=C(Cl)Cl)C2=CC=C(C=C2)Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:3035" }, "skos:altLabel": [ { "@language": "nl", "@value": "p,p’-dde" }, { "@language": "nl", "@value": "4,4'-dichloordifenyldichlooretheen" } ], "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", "skos:exactMatch": { "@id": "wise:CAS_72-55-9" }, "skos:notation": "44DDE", "dbo:pubchem": { "@value": "3035", "@type": "xsd:int" }, "dbp:inchikey": "UCNVFOCBFJOQAL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:PYUSJFJVDVSXIU-UHFFFAOYSA-N", "dbo:casNumber": "72918-21-9", "skos:exactMatch": { "@id": "wise:CAS_72918-21-9" }, "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzofuraan" }, { "@language": "nl", "@value": " 1,2,3,7,8,9-hexachloordibenzofuraan" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzofuraan (hxcdf)" } ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,7,8,9-HEXACHLORODIBENZOFURAN" }, "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", "dbp:inchikey": "PYUSJFJVDVSXIU-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003029" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C12H2Cl6O", "skos:notation": "PCDF124", "rdfs:seeAlso": { "@id": "compound:51720" }, "dbo:pubchem": { "@value": "51720", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzofuran" }, "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)C3=C(C(=C(C=C3O2)Cl)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ] }, { "@id": "csc:AZXHAWRMEPZSSV-UHFFFAOYSA-N", "skos:notation": "PCB167", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_52663-72-6" }, "skos:prefLabel": { "@language": "nl", "@value": "pcb 167" }, "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "52663-72-6", "skos:altLabel": [ { "@language": "nl", "@value": "2,3',4,4',5,5'-hexachloorbifenyl (pcb167)" }, { "@language": "nl", "@value": "2,3',4,4',5,5'-hexachloorbifenyl" }, { "@language": "nl", "@value": "PCB 167" } ], "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "40479", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:40479" }, "dbo:formula": "C12H4Cl6", "dbo:smiles": "C1=C(C=C(C(=C1Cl)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl", "dbp:inchikey": "AZXHAWRMEPZSSV-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H" }, { "@id": "csc:RZKKOBGFCAHLCZ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:pubchem": { "@value": "6977", "@type": "xsd:int" }, "dbo:casNumber": "89-61-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)[N+](=O)[O-])Cl", "skos:notation": "25DClNO2Ben", "dbp:inchikey": "RZKKOBGFCAHLCZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6977" }, "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H", "skos:prefLabel": { "@language": "nl", "@value": "2,5-dichloornitrobenzeen" }, "skos:exactMatch": { "@id": "wise:CAS_89-61-2" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-Dichloro-2-nitrobenzene" }, "dbo:formula": "C6H3Cl2NO2" }, { "@id": "csc:DDBMQDADIHOWIC-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_74070-46-5" }, "skos:notation": "acnfn", "dbo:iupacName": { "@language": "en", "@value": "2-chloro-6-nitro-3-(phenoxy)aniline" }, "dbp:inchikey": "DDBMQDADIHOWIC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H9ClN2O3", "dbo:pubchem": { "@value": "92389", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "aclonifen" }, "dbo:inchi": "InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2", "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "dbo:casNumber": "74070-46-5", "dbo:smiles": "C1=CC=C(C=C1)OC2=C(C(=C(C=C2)[N+](=O)[O-])N)Cl", "rdfs:seeAlso": { "@id": "compound:92389" } }, { "@id": "csc:PNVNVHUZROJLTJ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000138" }, "dbo:smiles": "CN(C)CC(C1=CC=C(C=C1)OC)C2(CCCCC2)O", "skos:exactMatch": { "@id": "wise:CAS_93413-69-5" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "93413-69-5", "dbo:iupacName": { "@language": "en", "@value": "1-[2-dimethylamino-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol" }, "dbp:inchikey": "PNVNVHUZROJLTJ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "venlafaxine" }, "rdfs:seeAlso": { "@id": "compound:5656" }, "skos:notation": "venlfxne", "dbo:pubchem": { "@value": "5656", "@type": "xsd:int" }, "dbo:formula": "C17H27NO2" }, { "@id": "csc:UPMXNNIRAGDFEH-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "15531", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "C1=C(C=C(C(=C1Br)O)Br)C#N", "dbp:inchikey": "UPMXNNIRAGDFEH-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "broomoxynil" }, "dbo:formula": "C7H3Br2NO", "skos:notation": "BrOxnl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "3,5-Dibromo-4-hydroxybenzonitrile" }, "skos:broader": { "@id": "csc:CHEMONTID_0001530" }, "skos:exactMatch": { "@id": "wise:CAS_1689-84-5" }, "dbo:inchi": "InChI=1S/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", "dbo:casNumber": "1689-84-5", "rdfs:seeAlso": { "@id": "compound:15531" }, "skos:altLabel": { "@language": "nl", "@value": "bromoxynil" } }, { "@id": "csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "N-tert-butyl-6-chloro-1,3,5-triazine-2,4-diamine" }, "dbo:pubchem": { "@value": "108201", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001693" }, "rdfs:seeAlso": { "@id": "compound:108201" }, "skos:exactMatch": { "@id": "wise:CAS_30125-63-4" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C7H12ClN5", "skos:notation": "desC2ytC4yaz", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "desethylterbutylazine" }, "dbo:smiles": "CC(C)(C)NC1=NC(=NC(=N1)N)Cl", "dbo:inchi": "InChI=1S/C7H12ClN5/c1-7(2,3)13-6-11-4(8)10-5(9)12-6/h1-3H3,(H3,9,10,11,12,13)", "dbp:inchikey": "LMKQNTMFZLAJDV-UHFFFAOYSA-N", "dbo:casNumber": "30125-63-4" }, { "@id": "csc:LCXMEXLGMKFLQO-UHFFFAOYSA-N", "skos:notation": "PCB156", "dbp:inchikey": "LCXMEXLGMKFLQO-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene" }, "skos:altLabel": [ { "@language": "nl", "@value": "2,3,3',4,4',5-hexachloorbifenyl" }, { "@language": "nl", "@value": "pcb 156" } ], "rdfs:comment": { "@language": "nl", "@value": "VLAR III (D3) 'dioxineachtige PCB's'" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H", "dbo:casNumber": "38380-08-4", "rdfs:seeAlso": { "@id": "compound:38019" }, "skos:exactMatch": { "@id": "wise:CAS_38380-08-4" }, "dbo:pubchem": { "@value": "38019", "@type": "xsd:int" }, "dbo:formula": "C12H4Cl6", "dbo:smiles": "C1=CC(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl", "skos:prefLabel": { "@language": "nl", "@value": "PCB 156" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:WNTGYJSOUMFZEP-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7153" }, "skos:broader": { "@id": "csc:CHEMONTID_0004676" }, "dbp:inchikey": "WNTGYJSOUMFZEP-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "mecoprop (mcpp)" }, "skos:prefLabel": { "@language": "nl", "@value": "mecoprop" }, "skos:notation": "MCPP", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "7085-19-0", "93-65-2" ], "dbo:inchi": "InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)", "dbo:pubchem": { "@value": "7153", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OC(C)C(=O)O", "dbo:iupacName": { "@language": "en", "@value": "2-(4-Chloro-2-methylphenoxy)propanoic acid" }, "dbo:formula": "C10H11ClO3", "skos:exactMatch": { "@id": "wise:CAS_7085-19-0" } }, { "@id": "csc:XCSNRORTQRKCHB-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:6740" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-6-nitrotolueen" }, "dbo:casNumber": "83-42-1", "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3", "dbo:pubchem": { "@value": "6740", "@type": "xsd:int" }, "dbp:inchikey": "XCSNRORTQRKCHB-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_83-42-1" }, "dbo:formula": "C7H6ClNO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-2-methyl-3-nitrobenzene" }, "skos:notation": "2Cl6NO2Tol", "dbo:smiles": "CC1=C(C=CC=C1Cl)[N+](=O)[O-]" }, { "@id": "csc:QBYJBZPUGVGKQQ-SEIHLVFNSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:exactMatch": { "@id": "wise:CAS_465-73-6" }, "skos:prefLabel": { "@language": "nl", "@value": "isodrin" }, "dbo:pubchem": { "@value": "222548", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6+,7-,10-,11+", "rdfs:seeAlso": { "@id": "compound:222548" }, "skos:notation": "idn", "dbo:casNumber": "465-73-6", "dbp:inchikey": "QBYJBZPUGVGKQQ-SEIHLVFNSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:formula": "C12H8Cl6", "dbo:smiles": "C1C2C=CC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "(1S,2R,3R,6S,7S,8R)-1,8,9,10,11,11-hexachlorotetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene" } }, { "@id": "csc:HCRWJJJUKUVORR-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "N'-methyl-6-methylsulfanyl-N-propan-2-yl-1,3,5-triazine-2,4-diamine" }, "dbo:casNumber": "1014-69-3", "dbo:formula": "C8H15N5S", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "13904", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "desmetryn" }, "dbo:inchi": "InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)", "skos:exactMatch": { "@id": "wise:CAS_1014-69-3" }, "rdfs:seeAlso": { "@id": "compound:13904" }, "dbp:inchikey": "HCRWJJJUKUVORR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004735" }, "skos:notation": "desmtn", "dbo:smiles": "CC(C)NC1=NC(=NC(=N1)NC)SC" }, { "@id": "csc:ZMYFCFLJBGAQRS-DLBZAZTESA-N", "dbo:iupacName": { "@language": "en", "@value": "1-[[(2S,3S)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole" }, "dbo:formula": "C17H13ClFN3O", "dbo:casNumber": "133855-98-8", "rdfs:seeAlso": { "@id": "compound:11067463" }, "dbo:pubchem": { "@value": "11067463", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "ZMYFCFLJBGAQRS-DLBZAZTESA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "epoxiconazole" }, "dbo:smiles": "C1=CC=C(C(=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)F)Cl", "skos:notation": "epxcnzl", "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", "skos:altLabel": { "@language": "nl", "@value": "epoxiconazool" }, "skos:exactMatch": { "@id": "wise:CAS_133855-98-8" }, "skos:broader": { "@id": "csc:CHEMONTID_0000253" } }, { "@id": "csc:UOORRWUZONOOLO-UPHRSURJSA-N", "dbo:casNumber": [ "10061-01-5", "542-75-6" ], "dbo:smiles": "C(C=CCl)Cl", "skos:notation": [ "13DClC3e", "c13DClC3e" ], "dbp:inchikey": "UOORRWUZONOOLO-UPHRSURJSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-", "dbo:iupacName": { "@language": "en", "@value": "(Z)-1,3-dichloroprop-1-ene" }, "skos:altLabel": [ { "@language": "nl", "@value": "1,3-dichloorpropeen, cis" }, { "@language": "nl", "@value": "1,3-dichloorpropeen (cis+trans)" }, { "@language": "nl", "@value": "1,3-dichloorpropeen" } ], "skos:exactMatch": [ { "@id": "wise:CAS_10061-01-5" }, { "@id": "wise:CAS_542-75-6" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5280970" }, "dbo:pubchem": { "@value": "5280970", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "cis-1,3-dichloorpropeen" }, "dbo:formula": "C3H4Cl2", "skos:broader": { "@id": "csc:CHEMONTID_0002863" } }, { "@id": "csc:VOXZDWNPVJITMN-ZBRFXRBCSA-N", "dbo:smiles": "CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O", "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol" }, "dbo:casNumber": [ "73459-61-7", "50-28-2" ], "skos:prefLabel": { "@language": "nl", "@value": "17-beta-estradiol" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003570" }, "rdfs:seeAlso": { "@id": "compound:5757" }, "skos:notation": "17bestDol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_50-28-2" }, "skos:altLabel": { "@language": "nl", "@value": "17beta-estradiol" }, "dbp:inchikey": "VOXZDWNPVJITMN-ZBRFXRBCSA-N", "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:formula": "C18H24O2", "dbo:pubchem": { "@value": "5757", "@type": "xsd:int" } }, { "@id": "csc:BYBLEWFAAKGYCD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002542" }, "skos:exactMatch": { "@id": "wise:CAS_22916-47-8" }, "skos:prefLabel": { "@language": "nl", "@value": "miconazol" }, "dbo:pubchem": { "@value": "4189", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:4189" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C18H14Cl4N2O", "dbo:iupacName": { "@language": "en", "@value": "1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl", "dbo:inchi": "InChI=1S/C18H14Cl4N2O/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/h1-8,11,18H,9-10H2", "dbo:casNumber": [ "22916-47-8", "75319-47-0" ], "skos:notation": "micanzl", "dbp:inchikey": "BYBLEWFAAKGYCD-UHFFFAOYSA-N" }, { "@id": "csc:SZIFAVKTNFCBPC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "['2-CHLOROETHANOL', '2-chloroethynol']" }, "dbo:smiles": "C(CCl)O", "dbo:inchi": "InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "SZIFAVKTNFCBPC-UHFFFAOYSA-N", "dbo:formula": "C2H5ClO", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "107-07-3", "59826-67-4", "1867-09-0" ], "skos:notation": "2ClC2ol", "rdfs:seeAlso": { "@id": "compound:34" }, "dbo:pubchem": { "@value": "34", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "skos:exactMatch": { "@id": "wise:CAS_107-07-3" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloorethanol" } }, { "@id": "csc:RTHCYVBBDHJXIQ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C17H18F3NO", "dbo:inchi": "InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3", "dbo:pubchem": { "@value": "3386", "@type": "xsd:int" }, "skos:notation": "fluoxtne", "rdfs:seeAlso": { "@id": "compound:3386" }, "dbo:casNumber": [ "52341-67-0", "54910-89-3", "57226-07-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0004551" }, "dbo:smiles": "CNCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "fluoxetine" }, "dbo:iupacName": { "@language": "en", "@value": "N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine" }, "dbp:inchikey": "RTHCYVBBDHJXIQ-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_54910-89-3" } }, { "@id": "csc:JOPOVCBBYLSVDA-UHFFFAOYSA-N", "dbo:smiles": "[Cr+6]", "skos:exactMatch": { "@id": "wise:CAS_18540-29-9" }, "dbo:pubchem": { "@value": "29131", "@type": "xsd:int" }, "dbo:casNumber": "18540-29-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "JOPOVCBBYLSVDA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:29131" }, "dbo:formula": "Cr+6", "skos:altLabel": { "@language": "nl", "@value": "chroom, zeswaardig" }, "dbo:inchi": "InChI=1S/Cr/q+6", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "chroom (zeswaardig)" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:iupacName": { "@language": "en", "@value": "chromium(+6) cation" }, "skos:notation": "CrVI" }, { "@id": "csc:WBHQEUPUMONIKF-UHFFFAOYSA-N", "dbp:inchikey": "WBHQEUPUMONIKF-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "pcb-180" }, { "@language": "nl", "@value": "2,2',3,4,4',5,5'-heptachloorbifenyl (pcb180)" }, { "@language": "nl", "@value": "2,2',3,4,4',5,5'-heptachloorbifenyl" }, { "@language": "nl", "@value": "PCB-180" } ], "rdfs:seeAlso": { "@id": "compound:37036" }, "skos:notation": "PCB180", "dbo:smiles": "C1=C(C(=CC(=C1Cl)Cl)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4-tetrachloro-5-(2,4,5-trichlorophenyl)benzene" }, "dbo:inchi": "InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H", "dbo:pubchem": { "@value": "37036", "@type": "xsd:int" }, "dbo:formula": "C12H3Cl7", "skos:prefLabel": { "@language": "nl", "@value": "pcb 180" }, "skos:exactMatch": { "@id": "wise:CAS_35065-29-3" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:casNumber": "35065-29-3" }, { "@id": "csc:CAWXEEYDBZRFPE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003901" }, "skos:prefLabel": { "@language": "nl", "@value": "hexazinon" }, "dbp:inchikey": "CAWXEEYDBZRFPE-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C12H20N4O2", "skos:notation": "Hxznn", "dbo:smiles": "CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C", "skos:exactMatch": { "@id": "wise:CAS_51235-04-2" }, "dbo:pubchem": { "@value": "39965", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3", "dbo:iupacName": { "@language": "en", "@value": "3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4-dione" }, "dbo:casNumber": "51235-04-2", "rdfs:seeAlso": { "@id": "compound:39965" } }, { "@id": "csc:JPOXNPPZZKNXOV-UHFFFAOYSA-N", "dbp:inchikey": "JPOXNPPZZKNXOV-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/CH2BrCl/c2-1-3/h1H2", "dbo:casNumber": [ "13590-47-1", "83847-49-8", "74-97-5" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "broomchloormethaan" }, "dbo:pubchem": { "@value": "6333", "@type": "xsd:int" }, "dbo:formula": "CH2BrCl", "rdfs:seeAlso": { "@id": "compound:6333" }, "skos:exactMatch": { "@id": "wise:CAS_74-97-5" }, "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "skos:notation"