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"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": 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{ "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'seleen en zijn verbindingen, uitgedrukt in Se'" } ], "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]", "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", "dbo:iupacName": { "@language": "en", "@value": "Oxolane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "skos:prefLabel": { "@language": "nl", "@value": "polytetramethyletherglycol" }, "rdfs:seeAlso": { "@id": "compound:8028" }, "dbo:inchi": "InChI=1S/C4H8O/c1-2-4-5-3-1/h1-4H2", 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"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", "skos:comment": [ { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'tin en zijn verbindingen, uitgedrukt in Sn'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Sn'" }, { "@language": "nl", "@value": "VLAR III (D3) 'tinverbindingen, met inbegrip van organotinverbindingen, uitgedrukt als Sn'" }, { "@language": "nl", "@value": "VLAR II D5 'tin en tinverbindingen, uitgedrukt als tin (Sn)'" } ], "dbo:casNumber": "7440-31-5", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "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", "skos:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "@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", "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", 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"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": { 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"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", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:comment": [ { "@language": "nl", "@value": "VLAR II (D4) 'stikstofoxiden (uitgedrukt in NO2)'" }, { "@language": "nl", "@value": " 'NOX als som van stikstofmonoxide (NO) en stikstofdioxide (NO2)'" }, { "@language": "nl", "@value": "VLAR II (D5) 'stikstofoxiden, uitgedrukt in NO2' 'stikstofoxiden (NOx), uitgedrukt als NO2' 'NOx, uitgedrukt als NO2' 'NOx''" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.3. 'stikstofoxiden'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'NOx, uitgedrukt als NO2'" }, { "@language": "nl", "@value": "VLAR II (D2) 'stikstofoxiden (NOx)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'stikstofoxiden (stikstofmonoxide en stikstofdioxide), uitgedrukt als stikstofdioxide'" }, { "@language": "nl", "@value": "VLAR III (D3) 'stikstofmonoxide (NO) en stikstofdioxide (NO2), uitgedrukt in NO2'" } ], "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))" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "stikstofoxiden (nox), uitgedrukt als no2" } }, { "@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" ], "skos: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": 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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": { 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II 2.5.8 'arseen'" }, { "@language": "nl", "@value": "VLAR II (D5) 'arseen en arseenverbindingen, uitgedrukt als arseen (As)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'arseen en zijn verbindingen, uitgedrukt in As'" } ], "dbo:smiles": "[As]", "dbp:inchikey": "RQNWIZPPADIBDY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/As", "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 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"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" }, { 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"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", "skos:comment": [ { "@language": "nl", "@value": "VLAR II (D2/D5) 'nikkel'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel'" }, { "@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 bijl. 2.5.8.1 'Nikkel'" }, { "@language": "nl", "@value": "VLAR III (D3) 'Nikkel en de verbindingen daarvan, uitgedrukt als nikkel (Ni)'" }, { 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'cadmium'" }, { "@language": "nl", "@value": "VLAR III (D3) 'cadmium en zijn verbindingen, uitgedrukt in Cd'" }, { "@language": "nl", "@value": "VLAR II (D5) 'cadmium en cadmiumverbindingen, uitgedrukt als cadmium (Cd)'" } ], "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:casNumber": [ "22537-48-0", "7440-43-9" ], "dbo:iupacName": { "@language": "en", "@value": "cadmium(+2) cation" }, "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", 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"wise:CAS_7440-70-2" }, "dbo:smiles": "[Ca]", "skos:notation": "Ca", "dbo:formula": "Ca" }, { "@id": "csc:RYYVLZVUVIJVGH-UHFFFAOYSA-N", "dbo:casNumber": [ "71701-02-5", "58-08-2", "95789-13-2" ], "dbo:iupacName": { "@language": "en", "@value": "1,3,7-trimethylpurine-2,6-dione" }, "skos:broader": { "@id": "csc:CHEMONTID_0000247" }, "dbo:formula": "C8H10N4O2", "rdfs:seeAlso": { "@id": "compound:2519" }, "dbp:inchikey": "RYYVLZVUVIJVGH-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3", "skos:notation": "caffine", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "caffeine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:exactMatch": { "@id": "wise:CAS_58-08-2" }, "dbo:pubchem": { "@value": "2519", "@type": "xsd:int" }, "dbo:smiles": "CN1C=NC2=C1C(=O)N(C(=O)N2C)C" }, { "@id": "csc:VEORPZCZECFIRK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", 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"dbo:iupacName": { "@language": "en", "@value": "2-Methoxypropyl acetate" }, "dbo:casNumber": "70657-70-4", "skos:broader": { "@id": "csc:CHEMONTID_0001238" } }, { "@id": "csc:UGFAIRIUMAVXCW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "155399-52-3", "82063-46-5", "153929-54-5", "630-08-0", "167416-30-0", "162342-48-5", "192819-80-0", "18421-60-8" ], "rdfs:seeAlso": { "@id": "compound:281" }, "dbo:formula": "CO", "skos:prefLabel": { "@language": "nl", "@value": "koolstofmonoxide" }, "dbo:pubchem": { "@value": "281", "@type": "xsd:int" }, "dbp:inchikey": "UGFAIRIUMAVXCW-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000434" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:notation": "CO", "skos:comment": [ { "@language": "nl", "@value": "VLAR bijl. 2.5.3. diverse plaatsen 'koolmonoxide'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'CO'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'koolstofmonoxide'" }, { "@language": "nl", "@value": "VLAR II (D2) 'koolmonoxide'" } ], "skos:altLabel": [ { "@language": "nl", "@value": "koolmonoxide" }, { "@language": "nl", "@value": "koolstofmonoxide (CO)" } ], "dbo:inchi": "InChI=1S/CO/c1-2", "dbo:iupacName": { "@language": "en", "@value": "carbon monoxide" }, "dbo:smiles": "[C-]#[O+]" }, { "@id": "csc:KZWPFFFDRDASOU-UHFFFAOYSA-N", "dbo:formula": "C15H20Cl2O4", "dbo:smiles": "CCCCOCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-D propyleen glycol butyl ether ester" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C15H20Cl2O4/c1-2-3-7-19-8-4-9-20-15(18)11-21-14-6-5-12(16)10-13(14)17/h5-6,10H,2-4,7-9,11H2,1H3", "dbp:inchikey": "KZWPFFFDRDASOU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:15997" }, "dbo:casNumber": [ "1928-45-6", "1320-18-9" ], "dbo:iupacName": { "@language": "en", "@value": "3-butoxypropyl 2-(2,4-dichlorophenoxy)acetate" }, "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "skos:altLabel": { "@language": "nl", "@value": "2,4-d propyleen glycol butyl ether ester" }, "dbo:pubchem": { "@value": "15997", "@type": "xsd:int" }, "skos:notation": "24DC3yegC4yE" }, { "@id": "csc:AOJJSUZBOXZQNB-TZSSRYMLSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C27H29NO11", "dbo:casNumber": [ "24385-08-8", "25311-50-6", "29042-30-6", "23257-17-2", "23214-92-8" ], "dbo:iupacName": { "@language": "en", "@value": "(7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione" }, "dbp:inchikey": "AOJJSUZBOXZQNB-TZSSRYMLSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002106" }, "dbo:inchi": 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"skos:Concept" ], "dbp:inchikey": "VUTHWSUXEOILTN-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC(=C1)OP(=O)(OC)OC)S(=O)(=O)C", "dbo:casNumber": "14086-35-2", "skos:notation": "fentoOosfn", "dbo:formula": "C10H15O6PS", "rdfs:seeAlso": { "@id": "compound:26449" }, "skos:prefLabel": { "@language": "nl", "@value": "fenthion-oxon-sulfon" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:BACHBFVBHLGWSL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate" }, "dbp:inchikey": "BACHBFVBHLGWSL-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "dbo:inchi": "InChI=1S/C16H14Cl2O4/c1-10(16(19)20-2)21-12-4-6-13(7-5-12)22-15-8-3-11(17)9-14(15)18/h3-10H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "51338-27-3", "51142-56-4", "75045-48-6" ], "dbo:pubchem": { "@value": "39985", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "diclofop-methyl" }, "dbo:formula": "C16H14Cl2O4", "rdfs:seeAlso": { "@id": "compound:39985" }, "skos:notation": "DcfC1y", "dbo:smiles": "CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)Cl" }, { "@id": "csc:GVJHHUAWPYXKBD-IEOSBIPESA-N", "dbo:casNumber": [ "11105-14-9", "181591-70-8", "25094-97-7", "16826-11-2", "1406-18-4", "59-02-9", "4072-33-7", "10191-41-0" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "alfa-tocoferol (Vitamine E)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "14985", "@type": "xsd:int" }, "skos:notation": "atcfrl", "dbo:inchi": "InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1", "dbp:inchikey": "GVJHHUAWPYXKBD-IEOSBIPESA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000201" }, "rdfs:seeAlso": { "@id": "compound:14985" }, "dbo:formula": "C29H50O2", "skos:prefLabel": { "@language": "nl", "@value": "alfa-tocoferol (vitamine e)" }, "dbo:smiles": "CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C", "dbo:iupacName": { "@language": "en", "@value": "(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL" } }, { "@id": "csc:QYPNKSZPJQQLRK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tebufenozide" }, "skos:broader": { "@id": "csc:CHEMONTID_0000176" }, "dbo:formula": "C22H28N2O2", "dbo:casNumber": [ "112410-23-8", "142583-69-5" ], "dbp:inchikey": "QYPNKSZPJQQLRK-UHFFFAOYSA-N", "dbo:smiles": "CCC1=CC=C(C=C1)C(=O)NN(C(=O)C2=CC(=CC(=C2)C)C)C(C)(C)C", "dbo:pubchem": { "@value": "91773", "@type": "xsd:int" }, "skos:notation": "tebfnzde", "rdfs:seeAlso": { "@id": "compound:91773" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "N-tert-Butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide" }, "dbo:inchi": "InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)" }, { "@id": "csc:HUKPVYBUJRAUAG-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6697" }, "dbo:smiles": "C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O", "dbo:casNumber": [ "116495-96-6", "57608-35-2", "82-05-3" ], "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "skos:prefLabel": { "@language": "nl", "@value": "benzanthron" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "Benztn", "dbo:pubchem": { "@value": "6697", "@type": "xsd:int" }, "dbo:formula": "C17H10O", "dbo:iupacName": { "@language": "en", "@value": "benzo[a]phenalen-7-one" }, "dbo:inchi": "InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "HUKPVYBUJRAUAG-UHFFFAOYSA-N" }, { "@id": "csc:OJOWICOBYCXEKR-KRXBUXKQSA-N", "dbo:pubchem": { "@value": "5365543", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C9H12/c1-2-8-5-7-3-4-9(8)6-7/h2-4,7,9H,5-6H2,1H3/b8-2+", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "62181-74-2", "59006-74-5", "16219-75-3" ], "rdfs:seeAlso": { "@id": "compound:5365543" }, "dbo:formula": "C9H12", "dbo:smiles": "CC=C1CC2CC1C=C2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "OJOWICOBYCXEKR-KRXBUXKQSA-N", "dbo:iupacName": { "@language": "en", "@value": "['(5E)-5-ethylidenebicyclo[2.2.1]hept-2-ene', '5-ethylidenebicyclo[2.2.1]hept-2-ene']" }, "skos:prefLabel": { "@language": "nl", "@value": "5-ethylideen-2-norborneen" }, "skos:broader": { "@id": "csc:CHEMONTID_0004622" }, "skos:notation": "5C2yid2nbnn" }, { "@id": "csc:UBUCNCOMADRQHX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "N,N-di(phenyl)nitrous amide" }, "dbp:inchikey": "UBUCNCOMADRQHX-UHFFFAOYSA-N", "skos:notation": "DFyNOAe", "rdfs:seeAlso": { "@id": "compound:6838" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "difenylnitrosamine" }, "dbo:smiles": "C1=CC=C(C=C1)N(C2=CC=CC=C2)N=O", "dbo:pubchem": { "@value": "6838", "@type": "xsd:int" }, "dbo:formula": "C12H10N2O", "dbo:casNumber": "86-30-6", "skos:broader": { "@id": "csc:CHEMONTID_0000113" }, "dbo:inchi": "InChI=1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H" }, { "@id": "csc:DUEPRVBVGDRKAG-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "2566", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "carbfrn", "dbo:iupacName": { "@language": "en", "@value": "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate" }, "dbo:smiles": "CC1(CC2=C(O1)C(=CC=C2)OC(=O)NC)C", "dbp:inchikey": "DUEPRVBVGDRKAG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "carbofuran" }, "skos:broader": { "@id": "csc:CHEMONTID_0004189" }, "rdfs:seeAlso": { "@id": "compound:2566" }, "dbo:casNumber": "1563-66-2", "dbo:formula": "C12H15NO3" }, { "@id": "csc:VLKZOEOYAKHREP-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "VLKZOEOYAKHREP-UHFFFAOYSA-N", "skos:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'paraffinische koolwaterstoffen (behalve methaan)'" }, "skos:prefLabel": { "@language": "nl", "@value": "hexaan" }, "dbo:casNumber": [ "8031-34-3", "110-54-3", "92112-69-1", "68476-44-8" ], "skos:altLabel": { "@language": "nl", "@value": "n-hexaan" }, "skos:notation": "C6a", "dbo:formula": "C6H14", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "8058", 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"(2Z,4S,4aR,5S,5aR,6S,12aS)-2-(amino-hydroxymethylidene)-4-dimethylamino-5,6,10,11,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,3,12-trione dihydrate" } }, { "@id": "csc:OWQCHLFKOGVODW-UHFFFAOYSA-M", "skos:notation": "9Cl-PF3ONS", "dbo:inchi": "InChI=1S/C8HClF16O4S.K/c9-5(18,19)3(14,15)1(10,11)2(12,13)4(16,17)6(20,21)29-7(22,23)8(24,25)30(26,27)28;/h(H,26,27,28);/q;+1/p-1", "rdfs:seeAlso": { "@id": "compound:25210512" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "9-Chloorhexadecafluor-3-oxanonaansulfonzuur" }, "dbo:smiles": "C(C(C(C(F)(F)Cl)(F)F)(F)F)(C(C(OC(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F.[K+]", "dbo:formula": "C8ClF16KO4S", "dbo:casNumber": "73606-19-6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "potassium;2-(6-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexoxy)-1,1,2,2-tetrafluoroethanesulfonate" }, "dbo:pubchem": { "@value": "25210512", "@type": "xsd:int" }, "dbp:inchikey": "OWQCHLFKOGVODW-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0001179" } }, { "@id": "csc:YTDHEFNWWHSXSU-UHFFFAOYSA-N", "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)N)Cl)Cl", "skos:notation": "2356T4ClAn", "rdfs:seeAlso": { "@id": "compound:18998" }, "dbo:inchi": "InChI=1S/C6H3Cl4N/c7-2-1-3(8)5(10)6(11)4(2)9/h1H,11H2", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "18998", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,5,6-tetrachlooraniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2,3,5,6-Tetrachloroaniline" }, "skos:broader": { "@id": "csc:CHEMONTID_0000284" }, "dbo:casNumber": "3481-20-7", "dbp:inchikey": "YTDHEFNWWHSXSU-UHFFFAOYSA-N", "dbo:formula": "C6H3Cl4N" }, { "@id": "csc:NTIZESTWPVYFNL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "4-methyl-2-pentanon" }, "skos:notation": "4C1y2C5on", "dbo:iupacName": { "@language": "en", "@value": "4-Methylpentan-2-one" }, "rdfs:seeAlso": { "@id": "compound:7909" }, "dbp:inchikey": "NTIZESTWPVYFNL-UHFFFAOYSA-N", "dbo:casNumber": "108-10-1", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:pubchem": { "@value": "7909", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000118" }, "skos:altLabel": [ { "@language": "nl", "@value": "4-methyl-2-pentanon (MIBK)" }, { "@language": "nl", "@value": "4-methyl-2-pentanon (mibk)" } ], "dbo:inchi": "InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3", "dbo:formula": "C6H12O", "skos:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:smiles": "CC(C)CC(=O)C" }, { "@id": "csc:JHWNWJKBPDFINM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:13690" }, "dbo:casNumber": [ "70099-82-0", "115296-77-0", "148308-40-1", "161865-23-2", "125081-69-8", "115296-76-9", 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"xsd:int" }, "skos:notation": "nuarml", "dbp:inchikey": "SAPGTCDSBGMXCD-UHFFFAOYSA-N", "dbo:formula": "C17H12ClFN2O", "dbo:smiles": "C1=CC=C(C(=C1)C(C2=CC=C(C=C2)F)(C3=CN=CN=C3)O)Cl" }, { "@id": "csc:OROAFUQRIXKEMV-LDADJPATSA-N", "rdfs:seeAlso": { "@id": "compound:5281037" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O", "skos:prefLabel": { "@language": "nl", "@value": "eprosartan" }, "dbo:formula": "C23H24N2O4S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "5281037", "@type": "xsd:int" }, "skos:notation": "epstn", "dbo:inchi": "InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+", "dbo:iupacName": { "@language": "en", "@value": "4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid" }, "dbp:inchikey": "OROAFUQRIXKEMV-LDADJPATSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002565" }, "dbo:casNumber": "133040-01-4" }, { "@id": "csc:WEEGYLXZBRQIMU-WAAGHKOSSA-N", "dbo:casNumber": [ "8024-52-0", "470-82-6", "8024-53-1", "10458-11-4" ], "skos:notation": "18cinole", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "0", "dbo:iupacName": { "@language": "en", "@value": "4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane" }, "dbo:formula": "0", "dbo:inchi": "InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/t8-,10+", "skos:broader": { "@id": "csc:CHEMONTID_0002012" }, "dbp:inchikey": "WEEGYLXZBRQIMU-WAAGHKOSSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "1,8-cineole" } }, { "@id": "csc:CCEKAJIANROZEO-UHFFFAOYSA-N", "skos:notation": [ "EtPFOSA", "EtFOSA" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": [ { "@language": "nl", "@value": "n-ethylperfluoroctaan-1-sulfonamide (etpfosa)" }, { "@language": "nl", "@value": "N-ethyl perfluoroctaansulfonamide" }, { "@language": "nl", "@value": "N-ethylperfluoroctaansulfonamide" }, { "@language": "nl", "@value": "n-ethylperfluor-n-octaansulfonamide (etpfosa)" }, { "@language": "nl", "@value": "n-ethyl perfluoroctaansulfonamide" } ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "n-ethylperfluor-n-octaansulfonamide" }, "dbo:formula": "C10H6F17NO2S", "rdfs:seeAlso": { "@id": "compound:77797" }, "dbo:iupacName": { "@language": "en", "@value": "N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide" }, "dbo:inchi": "InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3", "dbo:casNumber": "4151-50-2", "dbo:pubchem": { "@value": "77797", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003960" }, 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"1,4-diethoxybenzeen" }, "dbo:smiles": "CCOC1=CC=C(C=C1)OCC", "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-Diethoxybenzene" }, "dbo:pubchem": { "@value": "67150", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:67150" }, "skos:notation": "14DC2oxBen" }, { "@id": "csc:BGDCQZFFNFXYQC-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC(=C1)[N+](=O)[O-])Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "dbo:pubchem": { "@value": "83315", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-5-nitrotolueen" }, "dbo:formula": "C7H6ClNO2", "dbo:casNumber": "13290-74-9", "rdfs:seeAlso": { "@id": "compound:83315" }, "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-2-methyl-4-nitrobenzene" }, "dbo:inchi": "InChI=1S/C7H6ClNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3", "dbp:inchikey": "BGDCQZFFNFXYQC-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], 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"dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "RUBIDIUM" }, "dbo:inchi": "InChI=1S/Rb", "dbo:formula": "Rb", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Rb", "dbo:pubchem": { "@value": "5357696", "@type": "xsd:int" }, "dbp:inchikey": "IGLNJRXAVVLDKE-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:5357696" }, "skos:broader": { "@id": "csc:CHEMONTID_0000425" } }, { "@id": "csc:CBLVUXPPNHUKDE-QBFSEMIESA-N", "dbo:iupacName": { "@language": "en", "@value": "methyl (5Z)-2,2-dimethyl-4,6-dioxo-5-[1-(prop-2-enoxyamino)butylidene]cyclohexane-1-carboxylate" }, "dbo:casNumber": "55634-91-8", "skos:broader": { "@id": "csc:CHEMONTID_0000133" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C17H25NO5/c1-6-8-11(18-23-9-7-2)13-12(19)10-17(3,4)14(15(13)20)16(21)22-5/h7,14,18H,2,6,8-10H2,1,3-5H3/b13-11-", "dbp:inchikey": "CBLVUXPPNHUKDE-QBFSEMIESA-N", "skos:notation": "allxdm", "dbo:formula": "C17H25NO5", "dbo:pubchem": { "@value": "3034433", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:3034433" }, "dbo:smiles": "CCCC(=C1C(=O)CC(C(C1=O)C(=O)OC)(C)C)NOCC=C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "alloxydim" } }, { "@id": "csc:IFEJLMHZNQJGQU-UDEWSXLWSA-M", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000514" }, "dbo:smiles": "C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)[O-])O.[Na+]", "rdfs:seeAlso": { "@id": "compound:17756794" }, "skos:notation": "cloptnl", "skos:prefLabel": { "@language": "nl", "@value": "cloprostenol" }, "dbp:inchikey": "IFEJLMHZNQJGQU-UDEWSXLWSA-M", "dbo:formula": "C22H28ClNaO6", "dbo:inchi": "InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19?,20+,21-;/m1./s1", "dbo:pubchem": { "@value": "17756794", "@type": "xsd:int" }, "dbo:casNumber": [ "55028-72-3", "40665-92-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "sodium (Z)-7-[(1R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoate" } }, { "@id": "csc:LUZDYPLAQQGJEA-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3", "dbo:iupacName": { "@language": "en", "@value": "2-Methoxynaphthalene" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "2C1oxNaf", "dbo:formula": "C11H10O", "dbp:inchikey": "LUZDYPLAQQGJEA-UHFFFAOYSA-N", "dbo:casNumber": "93-04-9", "skos:broader": { "@id": "csc:CHEMONTID_0000023" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methoxynaftaleen" }, "dbo:smiles": "COC1=CC2=CC=CC=C2C=C1", "dbo:pubchem": { "@value": "7119", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:7119" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:NIWWFAAXEMMFMS-IGMARMGPSA-N", "dbo:smiles": "[Cm]", "dbo:pubchem": { "@value": "167403", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "curium-247" }, "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:notation": "Cm247", "rdfs:seeAlso": { "@id": "compound:167403" }, "dbo:formula": "Cm", "dbp:inchikey": "NIWWFAAXEMMFMS-IGMARMGPSA-N", "dbo:inchi": "InChI=1S/Cm/i1+0", "dbo:casNumber": "15758-32-4", "skos:prefLabel": { "@language": "nl", "@value": "curium 247" } }, { "@id": "csc:VPAYJEUHKVESSD-UHFFFAOYSA-N", "dbo:iupacName": { 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"10541", "@type": "xsd:int" }, "dbp:inchikey": "WVLBCYQITXONBZ-UHFFFAOYSA-N", "dbo:smiles": "COP(=O)(OC)OC", "skos:broader": { "@id": "csc:CHEMONTID_0003460" }, "skos:notation": "TC1yPO4", "dbo:inchi": "InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "trimethylfosfaat" }, "rdfs:seeAlso": { "@id": "compound:10541" } }, { "@id": "csc:JYQUHIFYBATCCY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:26124" }, "dbo:iupacName": { "@language": "en", "@value": "diethoxy-quinoxalin-2-yloxy-sulfanylidenephosphorane" }, "skos:prefLabel": { "@language": "nl", "@value": "quinalfos" }, "skos:broader": { "@id": "csc:CHEMONTID_0000486" }, "dbo:casNumber": [ "37331-41-2", "13593-03-8", "54511-12-5" ], "dbo:smiles": "CCOP(=S)(OCC)OC1=NC2=CC=CC=C2N=C1", "dbo:inchi": "InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3", "skos:inScheme": { 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"@language": "nl", "@value": "waterstofchloride" }, "dbo:smiles": "Cl", "dbo:inchi": "InChI=1S/ClH/h1H" }, { "@id": "csc:QAOWNCQODCNURD-UHFFFAOYSA-N", "dbo:formula": "H2O4S", "dbo:casNumber": [ "127529-01-5", "119540-51-1", "140623-70-7", "12772-98-4", "7664-93-9", "13537-15-0" ], "rdfs:seeAlso": { "@id": "compound:1118" }, "dbp:inchikey": "QAOWNCQODCNURD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "OS(=O)(=O)O", "dbo:iupacName": { "@language": "en", "@value": "Sulfuric acid" }, "skos:notation": "H2SO4", "skos:altLabel": { "@language": "nl", "@value": "zwavelzuur (H2SO4)" }, "skos:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'zwavelzuur'" }, { "@language": "nl", "@value": "VLAR II Art. 5.7.2.3 'gasvormig zwaveldioxide en zwaveltrioxide, met inbegrip van zuurdruppels berekend als SO2-equivalent'" } ], "dbo:inchi": "InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, 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"InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)", "skos:prefLabel": { "@language": "nl", "@value": "fenamifos-sulfoxide" }, "rdfs:seeAlso": { "@id": "compound:36027" }, "dbo:casNumber": [ "124793-11-9", "31972-43-7" ], "dbo:smiles": "CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)C)C", "dbo:pubchem": { "@value": "36027", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "fenamfSO", "skos:broader": { "@id": "csc:CHEMONTID_0004632" }, "dbo:formula": "C13H22NO4PS", "dbp:inchikey": "LUQMWGMGWJEGAT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HWWYDZCSSYKIAD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "3,5-Dimethylpyridine" }, "dbo:inchi": "InChI=1S/C7H9N/c1-6-3-7(2)5-8-4-6/h3-5H,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0004152" }, "skos:notation": "35DC1yprdne", "dbo:casNumber": "591-22-0", "dbp:inchikey": "HWWYDZCSSYKIAD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C7H9N", "dbo:smiles": "CC1=CC(=CN=C1)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:11565" }, "dbo:pubchem": { "@value": "11565", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "3,5-dimethylpyridine" } }, { "@id": "csc:MWFMGBPGAXYFAR-UHFFFAOYSA-N", "skos:notation": "2C1yltntl", "dbo:casNumber": [ "59182-86-4", "75-86-5" ], "dbo:smiles": "CC(C)(C#N)O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C4H7NO", "skos:broader": { "@id": "csc:CHEMONTID_0001670" }, "rdfs:seeAlso": { "@id": "compound:6406" }, "dbp:inchikey": "MWFMGBPGAXYFAR-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-Hydroxy-2-methylpropanenitrile" }, "skos:prefLabel": { "@language": "nl", "@value": "2-methyllactonitril" }, "dbo:pubchem": { "@value": "6406", "@type": "xsd:int" } }, { "@id": "csc:GLZPCOQZEFWAFX-JXMROGBWSA-N", "dbo:inchi": "InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7+", "rdfs:seeAlso": { "@id": "compound:637566" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "gernl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "106-24-1", "8007-13-4", "68311-14-8", "624-15-7" ], "dbo:formula": "C10H18O", "dbp:inchikey": "GLZPCOQZEFWAFX-JXMROGBWSA-N", "dbo:iupacName": { "@language": "en", "@value": "['(2E)-3,7-dimethylocta-2,6-dien-1-ol', '3,7-dimethylocta-2,6-dien-1-ol']" }, "skos:broader": { "@id": "csc:CHEMONTID_0001127" }, "skos:prefLabel": { "@language": "nl", "@value": "geraniol" }, "dbo:smiles": "CC(=CCCC(=CCO)C)C", "dbo:pubchem": { "@value": "637566", "@type": "xsd:int" } }, { "@id": "csc:DWFZBUWUXWZWKD-UHFFFAOYSA-N", 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16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(E)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaene-3-carboxylate" }, "dbo:smiles": "CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5C(=O)OC)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C)C=C)C", "dbo:formula": "C55H74N4O5", "dbo:casNumber": "603-17-8", "skos:prefLabel": { "@language": "nl", "@value": "feofytine a" }, "dbo:inchi": "InChI=1S/C55H74N4O5/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42/h13,26,28-33,37,41,51,56-57H,1,14-25,27H2,2-12H3/b34-26+,42-28?,43-29?,44-28?,45-30?,46-29?,47-30?,52-50?", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5351507" }, "skos:broader": { "@id": "csc:CHEMONTID_0000716" }, "dbo:pubchem": { "@value": "5351507", "@type": "xsd:int" }, "dbp:inchikey": "DQVGVYRSVYCJRR-HTLTWAQSSA-N" }, { "@id": "csc:PXTADLCAVHRXCA-UHFFFAOYSA-N", "dbo:casNumber": "28680-45-7", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "34308", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "heptachloornorborneen" }, "dbo:inchi": "InChI=1S/C7H3Cl7/c8-2-1-5(11)3(9)4(10)6(2,12)7(5,13)14/h1,3-4H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C7H3Cl7", "skos:notation": "HpClnbnn", "dbo:smiles": "C1=C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5,6,7,7-heptachlorobicyclo[2.2.1]hept-2-ene" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbp:inchikey": "PXTADLCAVHRXCA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:34308" } }, { "@id": "csc:AQXXZDYPVDOQEE-MXDQRGINSA-N", "dbo:smiles": "CN1CCCN=C1C=CC2=CC=CS2.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "22204-24-6", "122157-48-6" ], "skos:notation": "pyrtpmat", "dbo:formula": "C34H30N2O6S", "rdfs:seeAlso": { "@id": "compound:5281033" }, "dbp:inchikey": "AQXXZDYPVDOQEE-MXDQRGINSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002421" }, "skos:prefLabel": { "@language": "nl", "@value": "pyrantel pamoaat" }, "dbo:inchi": "InChI=1S/C23H16O6.C11H14N2S/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;1-13-8-3-7-12-11(13)6-5-10-4-2-9-14-10/h1-10,24-25H,11H2,(H,26,27)(H,28,29);2,4-6,9H,3,7-8H2,1H3/b;6-5+", "dbo:pubchem": { "@value": "5281033", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "['4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine', '4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid; 1-methyl-2-[(E)-2-thiophen-2-ylethenyl]-5,6-dihydro-4H-pyrimidine']" } }, { "@id": "csc:MOZDKDIOPSPTBH-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)O", "skos:prefLabel": { "@language": "nl", "@value": "benzyl 4-hydroxybenzoaat" }, "dbo:iupacName": { "@language": "en", "@value": "Phenylmethyl 4-hydroxybenzoate" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "7180", "@type": "xsd:int" }, "dbp:inchikey": "MOZDKDIOPSPTBH-UHFFFAOYSA-N", "dbo:casNumber": "94-18-8", "rdfs:seeAlso": { "@id": "compound:7180" }, "skos:broader": { "@id": "csc:CHEMONTID_0004702" }, "skos:notation": "benz4HOxbzat", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C14H12O3", "dbo:inchi": "InChI=1S/C14H12O3/c15-13-8-6-12(7-9-13)14(16)17-10-11-4-2-1-3-5-11/h1-9,15H,10H2" }, { "@id": "csc:LIUBOLYWYDGCSJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tri-tert-butylmethanol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0001670" }, "dbo:inchi": "InChI=1S/C13H28O/c1-10(2,3)13(14,11(4,5)6)12(7,8)9/h14H,1-9H3", "dbp:inchikey": "LIUBOLYWYDGCSJ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "142558", "@type": "xsd:int" }, "dbo:formula": "C13H28O", "dbo:iupacName": { "@language": "en", "@value": "3-tert-butyl-2,2,4,4-tetramethylpentan-3-ol" }, "skos:notation": "TttC4yC1ol", "dbo:casNumber": "41902-42-5", "dbo:smiles": "CC(C)(C)C(C(C)(C)C)(C(C)(C)C)O", "rdfs:seeAlso": { "@id": "compound:142558" } }, { "@id": "csc:BAZVSMNPJJMILC-STQMWFEESA-N", "dbo:casNumber": "89482-17-7", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)O", "dbo:formula": 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"89493-06-1" ], "dbp:inchikey": "KIEDNEWSYUYDSN-UHFFFAOYSA-N", "skos:notation": "clomzn", "rdfs:seeAlso": { "@id": "compound:54778" }, "dbo:pubchem": { "@value": "54778", "@type": "xsd:int" }, "dbo:formula": "C12H14ClNO2", "skos:prefLabel": { "@language": "nl", "@value": "clomazon" }, "dbo:inchi": "InChI=1S/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "2-[(2-chlorophenyl)methyl]-4,4-dimethyl-1,2-oxazolidin-3-one" } }, { "@id": "csc:LBNXAWYDQUGHGX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C13H20", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "C7yBen", "dbp:inchikey": "LBNXAWYDQUGHGX-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Heptylbenzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:pubchem": { "@value": "14115", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": 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Acid Red 52" } }, { "@id": "csc:BBBUAWSVILPJLL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000159" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-ethylhexoxymethyl)oxirane" }, "skos:prefLabel": { "@language": "nl", "@value": "2-ethylhexylglycidylether" }, "dbo:smiles": "CCCCC(CC)COCC1CO1", "rdfs:seeAlso": { "@id": "compound:17162" }, "dbo:inchi": "InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3", "dbo:casNumber": [ "102640-36-8", "98913-53-2", "145928-91-2", "2461-15-6" ], "skos:notation": "2C2yC6ygcdEt", "dbo:pubchem": { "@value": "17162", "@type": "xsd:int" }, "dbp:inchikey": "BBBUAWSVILPJLL-UHFFFAOYSA-N", "dbo:formula": "C11H22O2" }, { "@id": "csc:DQKWXTIYGWPGOO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002319" }, "dbo:casNumber": [ "1689-99-2", "86702-80-9", "33964-24-8" ], "dbo:formula": "C15H17Br2NO2", "dbo:pubchem": { "@value": "15533", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:15533" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(2,6-dibromo-4-cyanophenyl) octanoate" }, "skos:notation": "BrOxnOcnat", "dbo:inchi": "InChI=1S/C15H17Br2NO2/c1-2-3-4-5-6-7-14(19)20-15-12(16)8-11(10-18)9-13(15)17/h8-9H,2-7H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "broomoxynil-octanoaat" }, "dbo:smiles": "CCCCCCCC(=O)OC1=C(C=C(C=C1Br)C#N)Br", "dbp:inchikey": "DQKWXTIYGWPGOO-UHFFFAOYSA-N" }, { "@id": "csc:PGVOXXHNGYYHHB-UHFFFAOYSA-N", "skos:notation": "1C2yC10yBen", "dbo:casNumber": "2400-00-2", "dbo:pubchem": { "@value": "16979", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "PGVOXXHNGYYHHB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbo:smiles": "CCCCCCCCCC(CC)C1=CC=CC=C1", "dbo:iupacName": { "@language": "en", "@value": "dodecan-3-ylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C18H30", "dbo:inchi": "InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:16979" }, "skos:prefLabel": { "@language": "nl", "@value": "(1-ethyldecyl)-benzeen" } }, { "@id": "csc:HVYWMOMLDIMFJA-DPAQBDIFSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "57-88-5", "80356-14-5", "218965-24-3", "209124-38-9", "22243-67-0" ], "dbo:iupacName": { "@language": "en", "@value": "(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol" }, "dbp:inchikey": "HVYWMOMLDIMFJA-DPAQBDIFSA-N", "skos:notation": "cholEsrol", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": 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"26915-78-6", "54018-92-7", "111-40-0" ], "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C4H13N3/c5-1-3-7-4-2-6/h7H,1-6H2", "skos:notation": "DC2yeTAe", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:8111" }, "dbo:iupacName": { "@language": "en", "@value": "N-(2-aminoethyl)ethane-1,2-diamine" }, "dbo:pubchem": { "@value": "8111", "@type": "xsd:int" }, "dbo:formula": "C4H13N3", "dbp:inchikey": "RPNUMPOLZDHAAY-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:prefLabel": { "@language": "nl", "@value": "diethyleentriamine" }, "dbo:smiles": "C(CNCCN)N" }, { "@id": "csc:GKKDCARASOJPNG-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:61021" }, "dbo:smiles": "CC1OC(OC(OC(O1)C)C)C", "skos:prefLabel": { "@language": "nl", "@value": "metaldehyde" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "GKKDCARASOJPNG-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001656" }, "skos:notation": "mAh", "dbo:casNumber": "108-62-3", "dbo:inchi": "InChI=1S/C8H16O4/c1-5-9-6(2)11-8(4)12-7(3)10-5/h5-8H,1-4H3", "dbo:iupacName": { "@language": "en", "@value": "2,4,6,8-tetramethyl-1,3,5,7-tetraoxocane" }, "dbo:formula": "C8H16O4", "dbo:pubchem": { "@value": "61021", "@type": "xsd:int" } }, { "@id": "csc:YEIHPPOCKIHUQJ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "BghiF", "dbo:smiles": "C1=CC2=C3C(=C1)C4=CC=CC5=C4C3=C(C=C2)C=C5", "dbo:formula": "C18H10", "dbo:inchi": "InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H", "dbo:casNumber": "203-12-3", "skos:prefLabel": { "@language": "nl", "@value": "benzo(ghi)fluorantheen" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "dbp:inchikey": "YEIHPPOCKIHUQJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "9144", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9144" }, "dbo:iupacName": { "@language": "en", "@value": "pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3,5,8,11,13(18),14,16-nonaene" } }, { "@id": "csc:AIGRXSNSLVJMEA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0004767" }, "dbo:casNumber": [ "65580-80-5", "2104-64-5", "65580-79-2" ], "dbo:inchi": "InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3", "skos:notation": "EPN", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]", "dbo:iupacName": { "@language": "en", "@value": "ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidenephosphorane" }, "dbo:formula": "C14H14NO4PS", "dbp:inchikey": "AIGRXSNSLVJMEA-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "ethyl-p-nitrofenylthiobenzeenfosfonaat" }, "rdfs:seeAlso": { "@id": "compound:16421" 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"skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "dioxacarb" }, "dbo:casNumber": "6988-21-2", "dbo:pubchem": { "@value": "23421", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:23421" }, "skos:broader": { "@id": "csc:CHEMONTID_0004742" }, "skos:notation": "DOacb", "dbp:inchikey": "SDKQRNRRDYRQKY-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H13NO4/c1-12-11(13)16-9-5-3-2-4-8(9)10-14-6-7-15-10/h2-5,10H,6-7H2,1H3,(H,12,13)", "dbo:smiles": "CNC(=O)OC1=CC=CC=C1C2OCCO2", "dbo:iupacName": { "@language": "en", "@value": "[2-(1,3-dioxolan-2-yl)phenyl] N-methylcarbamate" }, "dbo:formula": "C11H13NO4" }, { "@id": "csc:SEOVTRFCIGRIMH-UHFFFAOYSA-N", "dbo:casNumber": [ "6305-45-9", "87-51-4", "54692-39-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0001252" }, "dbp:inchikey": "SEOVTRFCIGRIMH-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C2C(=C1)C(=CN2)CC(=O)O", "rdfs:seeAlso": { "@id": "compound:802" }, "dbo:iupacName": { "@language": "en", "@value": "2-(1H-indol-3-yl)acetic acid" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C10H9NO2", "skos:notation": "indlHAc", "dbo:inchi": "InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)", "dbo:pubchem": { "@value": "802", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "indolylazijnzuur" } }, { "@id": "csc:DKCPKDPYUFEZCP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C14H22O/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6/h7-9,15H,1-6H3", "skos:prefLabel": { "@language": "nl", "@value": "2,6-di-tert-butylfenol" }, "dbo:casNumber": [ "128-39-2", "50356-17-7" ], "skos:notation": "26DttC4yFol", "dbo:formula": "C14H22O", "dbo:iupacName": { "@language": "en", "@value": "2,6-ditert-butylphenol" }, "skos:inScheme": { "@id": 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"4C2y4C6ymfln", "skos:prefLabel": { "@language": "nl", "@value": "4-ethyl-4-hexadecylmorpholiniumethylsulfaat" }, "dbo:iupacName": { "@language": "en", "@value": "4-ethyl-4-hexadecylmorpholin-4-ium; ethyl sulfate" }, "dbo:inchi": "InChI=1S/C22H46NO.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(4-2)19-21-24-22-20-23;1-2-6-7(3,4)5/h3-22H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:60971" }, "skos:broader": { "@id": "csc:CHEMONTID_0000392" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CCCCCCCCCCCCCCCC[N+]1(CCOCC1)CC.CCOS(=O)(=O)[O-]", "dbp:inchikey": "QDQHWKZZJJDBND-UHFFFAOYSA-M" }, { "@id": "csc:WPYMKLBDIGXBTP-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002565" }, "dbo:iupacName": { "@language": "en", "@value": "benzoic acid" }, "skos:inScheme": { "@id": 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"dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": [ "85228-26-8", "80-07-9" ], "dbp:inchikey": "GPAPPPVRLPGFEQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6625", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6625" }, "skos:notation": "44DClDFysfn", "dbo:inchi": "InChI=1S/C12H8Cl2O2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H", "dbo:formula": "C12H8Cl2O2S", "skos:prefLabel": { "@language": "nl", "@value": "4,4'-dichloordifenylsulfon" }, "dbo:smiles": "C1=CC(=CC=C1S(=O)(=O)C2=CC=C(C=C2)Cl)Cl" }, { "@id": "csc:WEXRUCMBJFQVBZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4737", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCC(C)C1(C(=O)NC(=O)NC1=O)CC", "skos:notation": "pentbbtl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "WEXRUCMBJFQVBZ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione" }, "rdfs:seeAlso": { "@id": "compound:4737" }, "dbo:inchi": "InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)", "skos:prefLabel": { "@language": "nl", "@value": "pentobarbital" }, "skos:broader": { "@id": "csc:CHEMONTID_0000291" }, "dbo:casNumber": "76-74-4", "dbo:formula": "C11H18N2O3" }, { "@id": "csc:WGVWLKXZBUVUAM-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16826", "@type": "xsd:int" }, "skos:notation": "PenCl", "dbo:formula": "C13H18ClNO", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "WGVWLKXZBUVUAM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:16826" }, "dbo:iupacName": { "@language": "en", "@value": "N-(3-Chloro-4-methylphenyl)-2-methylpentanamide" }, "dbo:inchi": 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"@value": "N-butylaniline" } }, { "@id": "csc:HTDJPCNNEPUOOQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10914", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004445" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C6H18O3Si3", "skos:notation": "HxC1yccTslxn", "dbo:casNumber": "541-05-9", "dbp:inchikey": "HTDJPCNNEPUOOQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,2,4,4,6,6-hexamethyl-1,3,5,2,4,6-trioxatrisilinane" }, "dbo:inchi": "InChI=1S/C6H18O3Si3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h1-6H3", "skos:prefLabel": { "@language": "nl", "@value": "hexamethylcyclotrisiloxaan" }, "rdfs:seeAlso": { "@id": "compound:10914" }, "dbo:smiles": "C[Si]1(O[Si](O[Si](O1)(C)C)(C)C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:JJGYGPZNTOPXGV-SSTWWWIQSA-N", "dbp:inchikey": "JJGYGPZNTOPXGV-SSTWWWIQSA-N", "dbo:pubchem": { "@value": "5462507", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "6-o-monoacetylmorfine" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:5462507" }, "skos:notation": "6oMactmfne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000058" }, "dbo:inchi": "InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1", "dbo:formula": "C19H21NO4", "dbo:iupacName": { "@language": "en", "@value": "[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate" }, "dbo:smiles": "CC(=O)OC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3C", "dbo:casNumber": "2784-73-8" }, { "@id": "csc:XMWRBQBLMFGWIX-UHFFFAOYSA-N", "dbp:inchikey": "XMWRBQBLMFGWIX-UHFFFAOYSA-N", "dbo:smiles": 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"vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" }, "dbo:casNumber": "426-13-1", "dbo:inchi": "InChI=1S/C22H29FO4/c1-12-9-17-15-6-8-21(27,13(2)24)20(15,4)11-18(26)22(17,23)19(3)7-5-14(25)10-16(12)19/h5,7,10,12,15,17-18,26-27H,6,8-9,11H2,1-4H3/t12-,15-,17-,18-,19-,20-,21-,22-/m0/s1", "skos:notation": "Fmtln", "rdfs:seeAlso": { "@id": "compound:9878" }, "dbo:smiles": "CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O", "dbo:pubchem": { "@value": "9878", "@type": "xsd:int" }, "dbo:formula": "C22H29FO4", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001468" } }, { "@id": "csc:XKXPBJBODVHDAW-UHFFFAOYSA-N", "dbp:inchikey": "XKXPBJBODVHDAW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "66538", "@type": "xsd:int" }, "dbo:inchi": 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"dbo:inchi": "InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-CHLORO-9-HYDROXYFLUORENE-9-CARBOXYLIC ACID" }, "dbo:casNumber": "2464-37-1", "skos:prefLabel": { "@language": "nl", "@value": "chloorflurenol" }, "skos:broader": { "@id": "csc:CHEMONTID_0000020" }, "skos:notation": "clfrnl", "dbo:pubchem": { "@value": "17169", "@type": "xsd:int" } }, { "@id": "csc:WWZKQHOCKIZLMA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:379" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "octanoic acid" }, "dbo:smiles": "CCCCCCCC(=O)O", "skos:broader": { "@id": "csc:CHEMONTID_0003086" }, "dbo:inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)", "skos:notation": "C8azr", "skos:prefLabel": { "@language": "nl", "@value": "octaanzuur" 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"csc:GDSQRBLILFKERU-UHFFFAOYSA-N", "skos:notation": "HCFK225bb", "dbo:formula": "C3HCl2F5", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbp:inchikey": "GDSQRBLILFKERU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:61110" }, "dbo:casNumber": "422-44-6", "skos:prefLabel": { "@language": "nl", "@value": "1,2-dichloor-1,1,2,3,3-pentafluorpropaan" }, "dbo:iupacName": { "@language": "en", "@value": "1,2-DICHLORO-1,1,2,3,3-PENTAFLUOROPROPANE" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3HCl2F5/c4-2(8,1(6)7)3(5,9)10/h1H", "dbo:pubchem": { "@value": "61110", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:smiles": "C(C(C(F)(F)Cl)(F)Cl)(F)F" }, { "@id": "csc:ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "dbp:inchikey": "ZXCYIJGIGSDJQQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "12018", "@type": "xsd:int" }, "skos:notation": "23DClC3ol", "skos:prefLabel": { "@language": "nl", "@value": "2,3-dichloorpropanol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:12018" }, "dbo:iupacName": { "@language": "en", "@value": "2,3-Dichloropropan-1-ol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "82890-22-0", "616-23-9" ], "dbo:smiles": "C(C(CCl)Cl)O", "dbo:formula": "C3H6Cl2O", "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "dbo:inchi": "InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2" }, { "@id": "csc:YMHOBZXQZVXHBM-UHFFFAOYSA-N", "dbp:inchikey": "YMHOBZXQZVXHBM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "COC1=CC(=C(C=C1CCN)OC)Br", "dbo:pubchem": { "@value": "98527", "@type": "xsd:int" }, "dbo:formula": "C10H14BrNO2", "skos:broader": { "@id": "csc:CHEMONTID_0004111" }, "rdfs:seeAlso": { "@id": "compound:98527" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": 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N-[(Z)-(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminocarbamate', 'methyl N-[(1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methylimino]carbamate']" }, "dbo:pubchem": { "@value": "2553", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C11H10N4O4/c1-19-11(16)13-12-6-8-7-14(17)9-4-2-3-5-10(9)15(8)18/h2-7,18H,1H3", "dbp:inchikey": "BPMVRAQIQQEBLN-UHFFFAOYSA-N" }, { "@id": "csc:PSGPXWYGJGGEEG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "flurnC4y", "dbp:inchikey": "PSGPXWYGJGGEEG-UHFFFAOYSA-N", "dbo:formula": "C18H18O3", "dbo:casNumber": "2314-09-2", "rdfs:seeAlso": { "@id": "compound:40816" }, "dbo:iupacName": { "@language": "en", "@value": "Butyl 9-hydroxyfluorene-9-carboxylate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCOC(=O)C1(C2=CC=CC=C2C3=CC=CC=C31)O", "dbo:pubchem": { "@value": "40816", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000020" }, "dbo:inchi": 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"@value": "62353", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "C(C(C(F)(F)Cl)(F)F)(F)Cl", "skos:prefLabel": { "@language": "nl", "@value": "1,3-dichloor-1,1,2,2,3-pentafluorpropaan" }, "dbo:casNumber": "507-55-1", "rdfs:seeAlso": { "@id": "compound:62353" }, "dbo:formula": "C3HCl2F5", "dbo:inchi": "InChI=1S/C3HCl2F5/c4-1(6)2(7,8)3(5,9)10/h1H", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbp:inchikey": "UJIGKESMIPTWJH-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloro-1,1,2,2,3-pentafluoropropane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OZAIFHULBGXAKX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)(C#N)N=NC(C)(C)C#N", "dbo:casNumber": [ "34241-39-9", "95210-41-6", "67035-64-7", "58449-80-2", "78-67-1", "80748-81-8", "76012-28-7", "39322-24-2" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3", "skos:prefLabel": { "@language": "nl", "@value": "2,2'-dimethyl-2,2'-azodipropiononitril" }, "skos:broader": { "@id": "csc:CHEMONTID_0000410" }, "rdfs:seeAlso": { "@id": "compound:6547" }, "skos:notation": "22DC1y22aDpp", "dbo:formula": "C8H12N4", "dbo:iupacName": { "@language": "en", "@value": "2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile" }, "dbo:pubchem": { "@value": "6547", "@type": "xsd:int" }, "dbp:inchikey": "OZAIFHULBGXAKX-UHFFFAOYSA-N" }, { "@id": "csc:CKPCAYZTYMHQEX-JXAWBTAJSA-N", "dbo:casNumber": "88283-41-4", "dbp:inchikey": "CKPCAYZTYMHQEX-JXAWBTAJSA-N", "dbo:smiles": "CON=C(CC1=CN=CC=C1)C2=C(C=C(C=C2)Cl)Cl", "dbo:formula": "C14H12Cl2N2O", "dbo:inchi": "InChI=1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-", "rdfs:seeAlso": { "@id": "compound:6023583" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", 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"skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-4-nitroaniline" } }, { "@id": "csc:CRVGTESFCCXCTH-UHFFFAOYSA-N", "dbp:inchikey": "CRVGTESFCCXCTH-UHFFFAOYSA-N", "dbo:casNumber": [ "105-59-9", "511262-76-3" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CN(CCO)CCO", "dbo:pubchem": { "@value": "7767", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001897" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-hydroxyethyl-methylamino)ethanol" }, "rdfs:seeAlso": { "@id": "compound:7767" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2'-methyliminodiethanol" }, "dbo:inchi": "InChI=1S/C5H13NO2/c1-6(2-4-7)3-5-8/h7-8H,2-5H2,1H3", "skos:notation": "22C1yimnDC2o", "dbo:formula": "C5H13NO2" }, { "@id": "csc:MNWFXJYAOYHMED-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": 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{ "@id": "csc:CHEMONTID_0002404" }, "dbo:pubchem": { "@value": "53597", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "azanium 2-amino-4-(hydroxy-methylphosphoryl)butanoate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C5H12NO4P.H3N/c1-11(9,10)3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10);1H3", "rdfs:seeAlso": { "@id": "compound:53597" }, "dbo:smiles": "CP(=O)(CCC(C(=O)[O-])N)O.[NH4+]", "skos:altLabel": { "@language": "nl", "@value": "glufosinaat-ammonium" } }, { "@id": "csc:ALDJIKXAHSDLLB-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)C2=C(C=CC(=C2)Cl)Cl", "dbo:casNumber": [ "70362-46-8", "41464-39-5" ], "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,5'-tetrachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:38875" }, "dbo:formula": "C12H6Cl4", "dbp:inchikey": "ALDJIKXAHSDLLB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,2-dichloro-3-(2,5-dichlorophenyl)benzene" }, "dbo:inchi": 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"dbp:inchikey": "ILKJAFIWWBXGDU-WRRBAOOESA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:39858" }, "dbo:casNumber": "51022-69-6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "amcnnde", "dbo:pubchem": { "@value": "39858", "@type": "xsd:int" } }, { "@id": "csc:YPFDHNVEDLHUCE-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:10442" }, "dbo:casNumber": [ "504-63-2", "757125-93-2" ], "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C(CO)CO", "skos:broader": { "@id": "csc:CHEMONTID_0000286" }, "dbo:formula": "C3H8O2", "dbp:inchikey": "YPFDHNVEDLHUCE-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "10442", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "Propane-1,3-diol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "trimethyleenglycol (1,3-propyleenglycol)" }, "skos:notation": "TC1yegcl", "dbo:inchi": "InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2" }, { "@id": "csc:VIONGDJUYAYOPU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:119688" }, "dbp:inchikey": "VIONGDJUYAYOPU-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "119688", "@type": "xsd:int" }, "skos:notation": [ "2PFC6yC2a1sf", "H4PFOS", "6:2 FTS" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "1H,1H,2H,2H-perfluorooctaansulfonzuur" }, { "@language": "nl", "@value": "6:2 fluortelomeersulfonzuur" }, { "@language": "nl", "@value": "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 FTS)" }, { "@language": "nl", "@value": "2-(perfluorhexyl)ethaan-1-sulfonzuur (6:2 fts)" }, { "@language": "nl", "@value": "6:2 fluortelomeersulfonzuur (6:2 fts)" } ], "skos:prefLabel": { "@language": "nl", "@value": "1h,1h,2h,2h-perfluorooctaansulfonzuur" }, "dbo:iupacName": { "@language": "en", "@value": "3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctane-1-sulfonic acid" }, "dbo:smiles": "C(CS(=O)(=O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbo:casNumber": "27619-97-2", "dbo:inchi": "InChI=1S/C8H5F13O3S/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2,(H,22,23,24)", "dbo:formula": "C8H5F13O3S" }, { "@id": "csc:FAPWRFPIFSIZLT-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/ClH.Na/h1H;/q;+1/p-1", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:5234" }, "dbo:smiles": "[Na+].[Cl-]", "dbp:inchikey": "FAPWRFPIFSIZLT-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "5234", "@type": "xsd:int" }, "dbo:casNumber": [ "11062-43-4", "7647-14-5", "14784-90-8", "14762-51-7", "11062-32-1", "32343-72-9", "8028-77-1" ], "dbo:formula": "ClNa", "skos:broader": { "@id": "csc:CHEMONTID_0000563" }, "skos:prefLabel": { "@language": "nl", "@value": "natriumchloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "NaCl", "dbo:iupacName": { "@language": "en", "@value": "Sodium chloride" } }, { "@id": "csc:ZXQYGBMAQZUVMI-UNOMPAQXSA-N", "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", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "['[cyano-[3-(phenoxy)phenyl]methyl] 3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate', '[cyano-[3-(phenoxy)phenyl]methyl] 3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate']" }, "skos:prefLabel": { "@language": "nl", "@value": "cyhalothrin" }, "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "dbo:casNumber": "68085-85-8", "rdfs:seeAlso": { "@id": "compound:5281873" }, "dbo:inchi": "InChI=1S/C23H19ClF3NO3/c1-22(2)17(12-19(24)23(25,26)27)20(22)21(29)31-18(13-28)14-7-6-10-16(11-14)30-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/b19-12-", "dbo:formula": "C23H19ClF3NO3", "skos:notation": "cyhltn", "dbo:pubchem": { "@value": "5281873", "@type": "xsd:int" }, "dbp:inchikey": "ZXQYGBMAQZUVMI-UNOMPAQXSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:VPNGEIHDPSLNMU-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "68601", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "86347-14-0", "86347-15-1" ], "dbp:inchikey": "VPNGEIHDPSLNMU-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "medetomidine hydrochloride" }, "skos:notation": "medtmdneHCl", "dbo:formula": "C13H17ClN2", "rdfs:seeAlso": { "@id": "compound:68601" }, "skos:broader": { "@id": "csc:CHEMONTID_0004210" }, "dbo:iupacName": { "@language": "en", "@value": "4-[1-(2,3-dimethylphenyl)ethyl]-3H-imidazole hydrochloride" }, "dbo:inchi": "InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H", "dbo:smiles": "CC1=C(C(=CC=C1)C(C)C2=CN=CN2)C.Cl" }, { "@id": "csc:OZVBMTJYIDMWIL-AYFBDAFISA-N", "dbo:casNumber": "25614-03-3", "dbo:pubchem": { "@value": "31101", "@type": "xsd:int" }, "dbp:inchikey": "OZVBMTJYIDMWIL-AYFBDAFISA-N", "rdfs:seeAlso": { "@id": "compound:31101" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O", "dbo:formula": "C32H40BrN5O5", "skos:notation": "Brctne", "dbo:iupacName": { "@language": "en", "@value": "(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide" }, "dbo:inchi": 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"xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "clfcnn", "dbo:casNumber": "3691-35-8", "dbo:iupacName": { "@language": "en", "@value": "2-[2-(4-chlorophenyl)-2-phenylacetyl]indene-1,3-dione" } }, { "@id": "csc:GWHCXVQVJPWHRF-KTKRTIGZSA-N", "skos:prefLabel": { "@language": "nl", "@value": "cis-15-tetracoseenzuur" }, "dbo:casNumber": "506-37-6", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "(Z)-tetracos-15-enoic acid" }, "dbo:inchi": "InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-", "dbp:inchikey": "GWHCXVQVJPWHRF-KTKRTIGZSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002950" }, "skos:notation": "c15C24ezr", "rdfs:seeAlso": { "@id": "compound:5281120" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": 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"dbo:iupacName": { "@language": "en", "@value": "2-piperazin-1-ylethanamine" }, "skos:notation": "2AoC2ypprzne", "dbo:inchi": "InChI=1S/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H2" }, { "@id": "csc:RCINICONZNJXQF-VAZQATRQSA-N", "dbo:casNumber": "33069-62-4", "dbo:iupacName": { "@language": "en", "@value": "[(1S,2S,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate" }, "dbo:formula": "C47H51NO14", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1", "dbp:inchikey": 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"dbo:iupacName": { "@language": "en", "@value": "chromium(+3) cation" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Cr/q+3", "dbo:pubchem": { "@value": "27668", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:STJMRWALKKWQGH-UHFFFAOYSA-N", "skos:notation": "clenbtrl", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "2783", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "clenbuterol" }, "dbo:inchi": "InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3", "dbo:casNumber": [ "50499-60-0", "50306-03-1", "37148-27-9" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:smiles": "CC(C)(C)NCC(C1=CC(=C(C(=C1)Cl)N)Cl)O", "dbo:formula": "C12H18Cl2N2O", "dbo:iupacName": { "@language": "en", "@value": "1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol" }, "dbp:inchikey": 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"nl", "@value": "trietazine" } }, { "@id": "csc:COBPKKZHLDDMTB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8923" }, "dbo:pubchem": { "@value": "8923", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003338" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "2-(2-(2-butoxyethoxy)ethoxy)ethanol" }, "dbo:casNumber": "143-22-6", "dbo:formula": "C10H22O4", "dbp:inchikey": "COBPKKZHLDDMTB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[2-(2-Butoxyethoxy)ethoxy]ethanol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C10H22O4/c1-2-3-5-12-7-9-14-10-8-13-6-4-11/h11H,2-10H2,1H3", "skos:notation": "222C4oxC2oxC", "dbo:smiles": "CCCCOCCOCCOCCO" }, { "@id": "csc:PEGCITODQASXKH-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001814" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "methyldifenylfosfineoxide" }, "dbo:inchi": "InChI=1S/C13H13OP/c1-15(14,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3", "dbo:smiles": "CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2", "dbo:pubchem": { "@value": "75041", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PEGCITODQASXKH-UHFFFAOYSA-N", "skos:notation": "C1yDFyPO", "rdfs:seeAlso": { "@id": "compound:75041" }, "dbo:iupacName": { "@language": "en", "@value": "(methyl-phenylphosphoryl)benzene" }, "dbo:formula": "C13H13OP", "dbo:casNumber": "2129-89-7" }, { "@id": "csc:PJMPHNIQZUBGLI-UHFFFAOYSA-N", "dbo:casNumber": [ "80832-90-2", "437-38-7" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "fentanyl" }, "dbo:inchi": "InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3", "skos:notation": "fentnl", "dbp:inchikey": "PJMPHNIQZUBGLI-UHFFFAOYSA-N", 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}, "rdfs:seeAlso": { "@id": "compound:938" } }, { "@id": "csc:ZVFDTKUVRCTHQE-UHFFFAOYSA-N", "skos:notation": [ "DiC10yFt", "C10D911akFt" ], "rdfs:seeAlso": { "@id": "compound:33599" }, "dbo:formula": "C28H46O4", "dbo:inchi": "InChI=1S/C28H46O4/c1-23(2)17-11-7-5-9-15-21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-16-10-6-8-12-18-24(3)4/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3", "dbo:casNumber": [ "1341-39-5", "89-16-7", "26761-40-0", "119394-45-5", "68515-49-1", "148384-02-5", "105009-98-1" ], "dbo:pubchem": { "@value": "33599", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "bis(8-methylnonyl) benzene-1,2-dicarboxylate" }, "skos:altLabel": [ { "@language": "nl", "@value": "diisodecylftalaat" }, { "@language": "nl", "@value": "C10-rijk di-C9-11-vertakt alkylftalaat" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "di-isodecylftalaat (mix van isomeren)" }, "dbp:inchikey": 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"@value": "105048", "@type": "xsd:int" }, "dbo:smiles": "C[S+](C)C.C(C(=O)[O-])NCP(=O)(O)O", "dbp:inchikey": "RUCAXVJJQQJZGU-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/C3H8NO5P.C3H9S/c5-3(6)1-4-2-10(7,8)9;1-4(2)3/h4H,1-2H2,(H,5,6)(H2,7,8,9);1-3H3/q;+1/p-1", "dbo:iupacName": { "@language": "en", "@value": "2-(phosphonomethylamino)acetate; trimethylsulfanium" }, "rdfs:seeAlso": { "@id": "compound:105048" }, "skos:broader": { "@id": "csc:CHEMONTID_0000060" } }, { "@id": "csc:XQVCBOLNTSUFGD-UHFFFAOYSA-N", "dbp:inchikey": "XQVCBOLNTSUFGD-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H8ClNO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3", "dbo:formula": "C7H8ClNO", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004670" }, "dbo:casNumber": "5345-54-0", "dbo:pubchem": { "@value": "21441", "@type": "xsd:int" }, "skos:notation": "3Cl4C1oxAn", "dbo:iupacName": { "@language": "en", "@value": "3-Chloro-4-methoxyaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:21441" }, "dbo:smiles": "COC1=C(C=C(C=C1)N)Cl", "skos:prefLabel": { "@language": "nl", "@value": "3-chloor-4-methoxyaniline" } }, { "@id": "csc:DSSYKIVIOFKYAU-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,7,7-trimethylbicyclo[2.2.1]heptan-2-one" }, "dbo:smiles": "CC1(C2CCC1(C(=O)C2)C)C", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "camfor" }, "dbp:inchikey": "DSSYKIVIOFKYAU-UHFFFAOYSA-N", "dbo:casNumber": [ "68546-28-1", "48113-22-0", "76-22-2", "21368-68-3", "8013-55-6", "8022-77-3" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001564" }, "dbo:inchi": "InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3", "rdfs:seeAlso": { "@id": "compound:2537" }, "dbo:formula": "C10H16O", "skos:notation": "camfr", "dbo:pubchem": { "@value": "2537", "@type": "xsd:int" } }, { "@id": "csc:ZEKANFGSDXODPD-UHFFFAOYSA-N", "dbo:smiles": "CC(C)N.C(C(=O)O)NCP(=O)(O)O", "skos:broader": { "@id": "csc:CHEMONTID_0000060" }, "dbo:casNumber": [ "106805-61-2", "258263-91-1", "39226-77-2", "38641-94-0", "96638-41-4", "96639-11-1" ], "rdfs:seeAlso": { "@id": "compound:38078" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "glyfosaat-isopropylammonium" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "glyfsiC3yNH4", "dbo:inchi": "InChI=1S/C3H8NO5P.C3H9N/c5-3(6)1-4-2-10(7,8)9;1-3(2)4/h4H,1-2H2,(H,5,6)(H2,7,8,9);3H,4H2,1-2H3", "dbo:pubchem": { "@value": "38078", "@type": "xsd:int" }, "dbo:formula": "C6H17N2O5P", "dbo:iupacName": { "@language": "en", "@value": "2-(phosphonomethylamino)acetic acid; propan-2-amine" }, "dbp:inchikey": "ZEKANFGSDXODPD-UHFFFAOYSA-N" }, { "@id": "csc:INLLPKCGLOXCIV-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002864" }, "dbo:formula": 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"4,4'-methyleenbis(2-chlooraniline)" }, "dbp:inchikey": "IBOFVQJTBBUKMU-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7543", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline" }, "skos:prefLabel": { "@language": "nl", "@value": "4,4’-methylenebis(2-chlooraniline)" }, "rdfs:seeAlso": { "@id": "compound:7543" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H12Cl2N2", "dbo:inchi": "InChI=1S/C13H12Cl2N2/c14-10-6-8(1-3-12(10)16)5-9-2-4-13(17)11(15)7-9/h1-4,6-7H,5,16-17H2" }, { "@id": "csc:ZDRBJJNXJOSCLR-YZKQBBCCSA-N", "dbo:smiles": "CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N.Cl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "kasgmcne", "rdfs:seeAlso": { "@id": "compound:88045" }, "skos:prefLabel": { "@language": "nl", "@value": "kasugamycine" }, "dbo:casNumber": [ "19408-46-9", "6980-18-3" ], "dbo:pubchem": { "@value": "88045", "@type": 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"dbo:inchi": "InChI=1S/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+/m0/s1", "dbo:casNumber": "57-92-1", "dbo:smiles": "CC1C(C(C(O1)OC2C(C(C(C(C2O)O)N=C(N)N)O)N=C(N)N)OC3C(C(C(C(O3)CO)O)O)NC)(C=O)O", "dbo:pubchem": { "@value": "19649", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-[(1S,2R,3R,4S,5R,6R)-5-(diaminomethylideneamino)-2-[(2R,3R,4R,5S)-3-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-methylaminooxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-3,4,6-trihydroxycyclohexyl]guanidine" }, "rdfs:seeAlso": { "@id": "compound:19649" } }, { "@id": "csc:JARKCYVAAOWBJS-UHFFFAOYSA-N", "dbp:inchikey": "JARKCYVAAOWBJS-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "C6al", "rdfs:seeAlso": { "@id": "compound:6184" }, "skos:prefLabel": { "@language": "nl", "@value": "hexanal" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002229" }, "dbo:smiles": "CCCCCC=O", "dbo:pubchem": { "@value": "6184", "@type": "xsd:int" }, "dbo:casNumber": "66-25-1", "dbo:inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "Hexanal" }, "dbo:formula": "C6H12O" }, { "@id": "csc:AFWOYEYXUDHGHF-UHFFFAOYSA-N", "dbo:formula": "C20H9F34O4P", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:altLabel": [ { "@language": "nl", "@value": "bisperfluordecylwaterstoffosfaat (8:2 dipap)" }, { "@language": "nl", "@value": "8:2 fluortelomeerfosfaat diester" }, { "@language": "nl", "@value": "bisperfluordecylwaterstoffosfaat (8:2 diPAP)" } ], "dbo:iupacName": { "@language": "en", "@value": "Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl) hydrogen phosphate" }, 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"dbo:iupacName": { "@language": "en", "@value": "7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene;dibromide" }, "dbo:formula": "C12H12Br2N2", "skos:notation": "DqBr" }, { "@id": "csc:YKFKEYKJGVSEIX-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7392", "@type": "xsd:int" }, "skos:notation": "4ttC4yccC6on", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC(C)(C)C1CCC(=O)CC1", "dbo:iupacName": { "@language": "en", "@value": "4-tert-butylcyclohexan-1-one" }, "dbp:inchikey": "YKFKEYKJGVSEIX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7392" }, "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "dbo:formula": "C10H18O", "dbo:inchi": "InChI=1S/C10H18O/c1-10(2,3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3", "dbo:casNumber": "98-53-3", "skos:prefLabel": { "@language": "nl", "@value": "4-tert-butylcyclohexanon" } }, { "@id": "csc:IEMMBWWQXVXBEU-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": 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"(1'R,2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one" }, "skos:notation": "dormtne", "dbo:pubchem": { "@value": "6436133", "@type": "xsd:int" } }, { "@id": "csc:NEVMZYLKPFGDJB-OWOJBTEDSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0000417" }, "dbo:iupacName": { "@language": "en", "@value": "[(E)-4-chlorobut-2-enyl] 2-(2,4-dichlorophenoxy)acetate" }, "dbo:casNumber": "2971-38-2", "skos:altLabel": { "@language": "nl", "@value": "2,4-d chloorcrotyl-ester" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4-D chloorcrotyl-ester" }, "rdfs:seeAlso": { "@id": "compound:6433355" }, "dbo:formula": "C12H11Cl3O3", "dbo:inchi": 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"dbo:iupacName": { "@language": "en", "@value": "2-[[difluoro(trifluoromethoxy)methoxy]-difluoromethoxy]-2,2-difluoroacetic acid" }, "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:casNumber": "39492-89-2" }, { "@id": "csc:JXTHNDFMNIQAHM-UHFFFAOYSA-N", "dbo:casNumber": [ "79-43-6", "42428-47-7" ], "dbo:inchi": "InChI=1S/C2H2Cl2O2/c3-1(4)2(5)6/h1H,(H,5,6)", "dbp:inchikey": "JXTHNDFMNIQAHM-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6597" }, "skos:notation": "DClHAc", "dbo:formula": "C2H2Cl2O2", "dbo:iupacName": { "@language": "en", "@value": "2,2-Dichloroacetic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6597", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "dichloorazijnzuur" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:smiles": "C(C(=O)O)(Cl)Cl" }, { "@id": "csc:RHDHXBLZBVAPTL-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:pubchem": { "@value": "17631", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C18H30", "skos:prefLabel": { "@language": "nl", "@value": "(1-propylnonyl)-benzeen" }, "dbo:casNumber": "2719-64-4", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "RHDHXBLZBVAPTL-UHFFFAOYSA-N", "skos:notation": "1C3yC9yBen", "dbo:iupacName": { "@language": "en", "@value": "dodecan-4-ylbenzene" }, "dbo:smiles": "CCCCCCCCC(CCC)C1=CC=CC=C1", "dbo:inchi": "InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:17631" } }, { "@id": "csc:YTOPFCCWCSOHFV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "32518", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000392" }, "skos:notation": "Tdmf", "dbo:casNumber": [ "81412-43-3", "24602-86-6" ], "skos:prefLabel": { "@language": "nl", "@value": "tridemorf" }, "dbo:inchi": "InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3", "dbo:smiles": "CCCCCCCCCCCCCN1CC(OC(C1)C)C", "dbo:formula": "C19H39NO", "dbp:inchikey": "YTOPFCCWCSOHFV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:32518" }, "dbo:iupacName": { "@language": "en", "@value": "2,6-Dimethyl-4-tridecylmorpholine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:FWFUWXVFYKCSQA-UHFFFAOYSA-M", "rdfs:seeAlso": { "@id": "compound:3034154" }, "dbo:casNumber": [ "129701-88-8", "192388-82-2", "76701-57-0", "95243-13-3", "152634-06-5", "112666-19-0", "5165-97-9", "171063-24-4", "113996-54-6", "86848-82-0", "15214-89-8", "115137-50-3" ], "skos:notation": "2acamd2C1yC3", "skos:prefLabel": { "@language": "nl", "@value": "2-acrylamido-2-methylpropaansulfonzuur" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate" }, "dbo:inchi": "InChI=1S/C7H13NO4S.Na/c1-4-6(9)8-7(2,3)5-13(10,11)12;/h4H,1,5H2,2-3H3,(H,8,9)(H,10,11,12);/q;+1/p-1", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C7H12NNaO4S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "3034154", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbp:inchikey": "FWFUWXVFYKCSQA-UHFFFAOYSA-M" }, { "@id": "csc:ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "11096-33-6", "38473-42-6", "26259-45-0" ], "dbo:pubchem": { "@value": "33443", "@type": "xsd:int" }, "dbo:formula": "C10H19N5O", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:33443" }, "skos:broader": { "@id": "csc:CHEMONTID_0004731" }, "dbo:smiles": "CCC(C)NC1=NC(=NC(=N1)NCC)OC", "skos:prefLabel": { "@language": "nl", "@value": "secbumeton" }, "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-yl-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine" }, "dbo:inchi": "InChI=1S/C10H19N5O/c1-5-7(3)12-9-13-8(11-6-2)14-10(15-9)16-4/h7H,5-6H2,1-4H3,(H2,11,12,13,14,15)", "dbp:inchikey": "ZJMZZNVGNSWOOM-UHFFFAOYSA-N", "skos:notation": "secbmtn" }, { "@id": "csc:RJCQBQGAPKAMLL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "broomtrifluormethaan" }, "dbp:inchikey": "RJCQBQGAPKAMLL-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/CBrF3/c2-1(3,4)5", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004157" }, "dbo:casNumber": [ "62395-25-9", "75-63-8" ], "dbo:iupacName": { "@language": "en", "@value": "bromo-trifluoromethane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(F)(F)(F)Br", "rdfs:seeAlso": { "@id": "compound:6384" }, "dbo:pubchem": { "@value": "6384", "@type": "xsd:int" }, "skos:notation": "halon1301", "dbo:formula": "CBrF3" }, { "@id": "csc:ABBKOIZWGCVCKE-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)", "dbo:pubchem": { "@value": "185831", "@type": "xsd:int" }, "dbo:smiles": "CC(C)C1=CC=C(C=C1)NC(=O)N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "56046-17-4", "skos:broader": { "@id": "csc:CHEMONTID_0001935" }, "skos:prefLabel": { "@language": "nl", "@value": "1-(4-isopropylfenyl)ureum" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "ABBKOIZWGCVCKE-UHFFFAOYSA-N", "dbo:formula": "C10H14N2O", "dbo:iupacName": { "@language": "en", "@value": "(4-propan-2-ylphenyl)urea" }, "rdfs:seeAlso": { "@id": "compound:185831" }, "skos:notation": "14iC3yFyurum" }, { "@id": "csc:CZZYITDELCSZES-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "phenylmethylbenzene" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "CZZYITDELCSZES-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "difenylmethaan" }, "dbo:casNumber": "101-81-5", "dbo:pubchem": { "@value": "7580", "@type": "xsd:int" }, "dbo:smiles": "C1=CC=C(C=C1)CC2=CC=CC=C2", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "rdfs:seeAlso": { "@id": "compound:7580" }, "dbo:formula": "C13H12", "dbo:inchi": "InChI=1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2", "skos:notation": "DFyC1a" }, { "@id": "csc:ACTOXUHEUCPTEW-JMRHEKERSA-N", "skos:altLabel": { "@language": "nl", "@value": "spiramycine (i+ii+iii)" }, "dbo:casNumber": "8025-81-8", "dbo:smiles": "CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C", "dbp:inchikey": "ACTOXUHEUCPTEW-JMRHEKERSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C43H74N2O14", "rdfs:seeAlso": { "@id": "compound:6419898" }, "dbo:iupacName": { "@language": "en", "@value": "['2-[(4R,5S,6S,7R,9R,10R,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde', '2-[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-[5-(4,5-dihydroxy-4,6-dimethyloxan-2-yl)oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-10-(5-dimethylamino-6-methyloxan-2-yl)oxy-4-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde']" }, "dbo:pubchem": { "@value": "6419898", "@type": "xsd:int" }, "skos:notation": "spirmcne", "dbo:inchi": "InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1", "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:prefLabel": { "@language": "nl", "@value": "spiramycine (I+II+III)" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:MIJLZGZLQLAQCM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "87237-48-7", "126518-70-5" ], "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop-ethoxyethyl" }, "dbo:iupacName": { "@language": "en", "@value": "2-ethoxyethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "dbo:pubchem": { "@value": "91743", "@type": 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"SZVGIJOITCPDPM-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "dbo:formula": "C10HClF20O4S", "dbo:inchi": "InChI=1S/C10HClF20O4S/c11-7(24,25)5(20,21)3(16,17)1(12,13)2(14,15)4(18,19)6(22,23)8(26,27)35-9(28,29)10(30,31)36(32,33)34/h(H,32,33,34)", "dbo:smiles": "C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(C(C(C(OC(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "11‐chloroeicosafluoro‐3‐oxaundecane‐1‐sulfonzuur" } }, { "@id": "csc:XAIPTRIXGHTTNT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)", "skos:prefLabel": { "@language": "nl", "@value": "triflumuron" }, "dbo:smiles": "C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004513" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "64628-44-0", "dbp:inchikey": "XAIPTRIXGHTTNT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:47445" }, "skos:notation": "Tfmrn", "dbo:formula": "C15H10ClF3N2O3", "dbo:pubchem": { "@value": "47445", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide" } }, { "@id": "csc:JHFAEUICJHBVHB-UHFFFAOYSA-N", "dbo:formula": "C8H7NO", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:casNumber": [ "16990-73-1", "59-48-3" ], "dbo:iupacName": { "@language": "en", "@value": "1H-Indol-2-ol" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3-dihydroindol-2-on" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:65531" }, "dbo:pubchem": { "@value": "65531", "@type": "xsd:int" }, "dbp:inchikey": "JHFAEUICJHBVHB-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C2C(=C1)C=C(N2)O", "skos:broader": { "@id": "csc:CHEMONTID_0004162" }, "skos:notation": "23DHindl2on", "dbo:inchi": 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{ "@id": "csc:QPPBRPIAZZHUNT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H12N4O2S/c1-8-6-7-13-11(14-8)15-18(16,17)10-4-2-9(12)3-5-10/h2-7H,12H2,1H3,(H,13,14,15)", "dbp:inchikey": "QPPBRPIAZZHUNT-UHFFFAOYSA-N", "dbo:smiles": "CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbo:casNumber": [ "99482-27-6", "127-79-7" ], "rdfs:seeAlso": { "@id": "compound:5325" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfamerazine" }, "skos:notation": "sulfmrzn", "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "sulfamerazin" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "dbo:formula": "C11H12N4O2S", "dbo:pubchem": { "@value": "5325", "@type": "xsd:int" } }, { "@id": "csc:WDCYWAQPCXBPJA-UHFFFAOYSA-N", "dbp:inchikey": "WDCYWAQPCXBPJA-UHFFFAOYSA-N", "rdfs:seeAlso": 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], "dbo:inchi": "InChI=1S/C8H18O2/c1-3-5-8(10)7(4-2)6-9/h7-10H,3-6H2,1-2H3", "dbo:smiles": "CCCC(C(CC)CO)O", "skos:prefLabel": { "@language": "nl", "@value": "ethylhexaandiol" }, "rdfs:seeAlso": { "@id": "compound:7211" }, "dbo:iupacName": { "@language": "en", "@value": "2-Ethylhexane-1,3-diol" }, "skos:broader": { "@id": "csc:CHEMONTID_0001334" } }, { "@id": "csc:ICKAEAFPESRWOT-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004485" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid" }, "dbp:inchikey": "ICKAEAFPESRWOT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8HF15O3S/c9-1(4(14,15)8(21,22)23)2(10,11)5(16,17)7(20,27(24,25)26)6(18,19)3(1,12)13/h(H,24,25,26)", "dbo:formula": "C8HF15O3S", "dbo:casNumber": "646-83-3", "skos:notation": "PFECHS", "dbo:pubchem": { "@value": "101650", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-4-ethylcyclohexaansulfonzuur" }, "dbo:smiles": "C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)F", "rdfs:seeAlso": { "@id": "compound:101650" } }, { "@id": "csc:JFALSRSLKYAFGM-AHCXROLUSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "JFALSRSLKYAFGM-AHCXROLUSA-N", "dbo:inchi": "InChI=1S/U/i1-4", "skos:notation": "U234", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "[U]", "skos:prefLabel": { "@language": "nl", "@value": "uranium 234" }, "dbo:pubchem": { "@value": "61704", "@type": "xsd:int" }, "dbo:casNumber": "13966-29-5", "rdfs:seeAlso": { "@id": "compound:61704" }, "dbo:formula": "U", "dbo:iupacName": { "@language": "en", "@value": "uranium-234" } }, { "@id": "csc:XQZXYNRDCRIARQ-LURJTMIESA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", 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"compound:47759" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C18H26N2O5S", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "65907-30-4", "78320-89-5" ], "dbo:iupacName": { "@language": "en", "@value": "(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(butoxycarbonyl-methylamino)sulfanyl-N-methylcarbamate" }, "dbo:smiles": "CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C", "dbo:inchi": "InChI=1S/C18H26N2O5S/c1-6-7-11-23-16(21)19(4)26-20(5)17(22)24-14-10-8-9-13-12-18(2,3)25-15(13)14/h8-10H,6-7,11-12H2,1-5H3", "dbo:pubchem": { "@value": "47759", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "furathiocarb" }, "skos:broader": { "@id": "csc:CHEMONTID_0004189" }, "skos:notation": "furtocb", "dbp:inchikey": "HAWJXYBZNNRMNO-UHFFFAOYSA-N" }, { "@id": "csc:ZVZQKNVMDKSGGF-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-ethylsulfanylethoxy-dimethoxy-sulfanylidenephosphorane" }, 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}, "skos:notation": "2HOxbenztazl", "dbo:pubchem": { "@value": "13625", "@type": "xsd:int" }, "dbo:casNumber": [ "4464-59-9", "92353-21-4", "934-34-9", "60362-05-2" ], "dbp:inchikey": "YEDUAINPPJYDJZ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000311" }, "dbo:formula": "C7H5NOS", "dbo:iupacName": { "@language": "en", "@value": "3H-1,3-benzothiazol-2-one" } }, { "@id": "csc:NTSLROIKFLNUIJ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "5-Ethyl-2-methylpyridine" }, "dbo:pubchem": { "@value": "7728", "@type": "xsd:int" }, "dbo:casNumber": "104-90-5", "skos:notation": "C1yC2yprdne", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "methylethylpyridine" }, "dbo:smiles": "CCC1=CN=C(C=C1)C", "skos:broader": { "@id": "csc:CHEMONTID_0004152" }, "dbo:inchi": "InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3", "dbo:formula": "C8H11N", "rdfs:seeAlso": { "@id": "compound:7728" }, "dbp:inchikey": "NTSLROIKFLNUIJ-UHFFFAOYSA-N" }, { "@id": "csc:WJQZZLQMLJPKQH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "1570-65-6", "dbo:pubchem": { "@value": "15292", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C7H6Cl2O/c1-4-2-5(8)3-6(9)7(4)10/h2-3,10H,1H3", "skos:prefLabel": { "@language": "nl", "@value": "4,6-dichloor-2-methylfenol" }, "dbp:inchikey": "WJQZZLQMLJPKQH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:15292" }, "skos:notation": "46DCl2C1yFol", "dbo:smiles": "CC1=CC(=CC(=C1O)Cl)Cl", "dbo:formula": "C7H6Cl2O", "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichloro-6-methylphenol" } }, { "@id": "csc:LKHLFUVHHXCNJH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:38016" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C12H4Cl6", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4',5',6-hexachloorbifenyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "LKHLFUVHHXCNJH-UHFFFAOYSA-N", "skos:notation": "PCB149", "dbo:smiles": "C1=CC(=C(C(=C1Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl", "dbo:casNumber": "38380-04-0", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:pubchem": { "@value": "38016", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H4Cl6/c13-6-1-2-7(14)12(18)11(6)5-3-9(16)10(17)4-8(5)15/h1-4H", "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-5-(2,3,6-trichlorophenyl)benzene" } }, { "@id": "csc:QYSGYZVSCZSLHT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6432" }, "dbo:smiles": "C(C(F)(F)F)(C(F)(F)F)(F)F", "dbo:formula": "C3F8", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": 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Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een propaan." }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:OBYVIBDTOCAXSN-UHFFFAOYSA-N", "dbo:formula": "C8H19N", "dbo:pubchem": { "@value": "12277", "@type": "xsd:int" }, "skos:notation": "N1C1yC3y2C4a", "rdfs:seeAlso": { "@id": "compound:12277" }, "dbp:inchikey": "OBYVIBDTOCAXSN-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C8H19N/c1-5-7(3)9-8(4)6-2/h7-9H,5-6H2,1-4H3", "dbo:smiles": "CCC(C)NC(C)CC", "dbo:iupacName": { "@language": "en", "@value": "N-butan-2-ylbutan-2-amine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "n-(1-methylpropyl)-2-butaanamine" }, "dbo:casNumber": "626-23-3", "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "skos:altLabel": { "@language": "nl", "@value": "N-(1-methylpropyl)-2-butaanamine" } }, { "@id": "csc:BHNZEZWIUMJCGF-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6388", "@type": "xsd:int" }, "dbp:inchikey": "BHNZEZWIUMJCGF-UHFFFAOYSA-N", "dbo:casNumber": [ "75-68-3", "65762-25-6" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-1,1-difluorethaan" }, "dbo:inchi": "InChI=1S/C2H3ClF2/c1-2(3,4)5/h1H3", "dbo:formula": "C2H3ClF2", "skos:notation": "HCFK142b", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-1,1-difluoroethane" }, "dbo:smiles": "CC(F)(F)Cl", "rdfs:seeAlso": { "@id": "compound:6388" } }, { "@id": "csc:HHRACYLRBOUBKM-UHFFFAOYSA-N", "dbp:inchikey": "HHRACYLRBOUBKM-UHFFFAOYSA-N", "dbo:casNumber": [ "29298-03-1", "124632-41-3", "128994-01-4", "3101-60-8", "99938-81-5", "71281-67-9" ], "skos:notation": "4ttC4yFygcdE", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "18360", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(C)C1=CC=C(C=C1)OCC2CO2", "dbo:inchi": "InChI=1S/C13H18O2/c1-13(2,3)10-4-6-11(7-5-10)14-8-12-9-15-12/h4-7,12H,8-9H2,1-3H3", "dbo:formula": "C13H18O2", "dbo:iupacName": { "@language": "en", "@value": "2-[(4-tert-butylphenoxy)methyl]oxirane" }, "skos:prefLabel": { "@language": "nl", "@value": "4-tert-butylfenylglycidylether" }, "rdfs:seeAlso": { "@id": "compound:18360" } }, { "@id": "csc:JTZCTMAVMHRNTR-UHFFFAOYSA-N", "dbp:inchikey": "JTZCTMAVMHRNTR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "41463", "@type": "xsd:int" }, "dbo:formula": "C19H23ClN2O2S", "dbo:iupacName": { "@language": "en", "@value": "(6-chloro-3-phenylpyridazin-4-yl) octylsulfanylformate" }, "dbo:inchi": "InChI=1S/C19H23ClN2O2S/c1-2-3-4-5-6-10-13-25-19(23)24-16-14-17(20)21-22-18(16)15-11-8-7-9-12-15/h7-9,11-12,14H,2-6,10,13H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "dbo:casNumber": "55512-33-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCSC(=O)OC1=CC(=NN=C1C2=CC=CC=C2)Cl", "skos:prefLabel": { "@language": "nl", "@value": "pyridaat" }, "rdfs:seeAlso": { "@id": "compound:41463" }, "skos:notation": "pyrdt" }, { "@id": "csc:GOJCZVPJCKEBQV-UHFFFAOYSA-N", "dbp:inchikey": "GOJCZVPJCKEBQV-UHFFFAOYSA-N", "skos:notation": "C4yFtyC4ygcl", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:6819" }, "dbo:pubchem": { "@value": "6819", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "butyl ftalyl butyl glycolaat" }, "dbo:smiles": "CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC", "dbo:inchi": "InChI=1S/C18H24O6/c1-3-5-11-22-16(19)13-24-18(21)15-10-8-7-9-14(15)17(20)23-12-6-4-2/h7-10H,3-6,11-13H2,1-2H3", "dbo:formula": "C18H24O6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "O2-(2-butoxy-2-oxoethyl) O1-butyl benzene-1,2-dicarboxylate" }, "dbo:casNumber": "85-70-1", "skos:broader": { "@id": "csc:CHEMONTID_0001350" } }, { "@id": "csc:IQDGSYLLQPDQDV-UHFFFAOYSA-N", "dbp:inchikey": "IQDGSYLLQPDQDV-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C2H7N.ClH/c1-3-2;/h3H,1-2H3;1H", "dbo:formula": "C2H8ClN", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "DC1yAeHCl", "dbo:smiles": "CNC.Cl", "rdfs:seeAlso": { "@id": "compound:10473" }, "dbo:iupacName": { "@language": "en", "@value": "['N-Methylmethanamine hydrochloride', 'hydron; N-methylmethanamine; chloride']" }, "skos:broader": { "@id": "csc:CHEMONTID_0002228" }, "dbo:casNumber": "506-59-2", "skos:prefLabel": { "@language": "nl", "@value": "dimethylamine-hydrochloride" }, "dbo:pubchem": { "@value": "10473", "@type": "xsd:int" } }, { "@id": "csc:MWOOGOJBHIARFG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:1183" }, "dbp:inchikey": "MWOOGOJBHIARFG-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "vanilline" }, "dbo:pubchem": { "@value": "1183", "@type": "xsd:int" }, "skos:notation": "vanlne", "dbo:casNumber": [ "121-33-5", "52447-63-9", "8014-42-4" ], "dbo:smiles": "COC1=C(C=CC(=C1)C=O)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000190" }, "dbo:formula": "C8H8O3", "dbo:inchi": "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3", "dbo:iupacName": { "@language": "en", "@value": "4-Hydroxy-3-methoxybenzaldehyde" } }, { "@id": "csc:UMGDCJDMYOKAJW-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001209" }, "dbo:formula": "CH4N2S", "rdfs:seeAlso": { "@id": "compound:6118" }, "dbp:inchikey": "UMGDCJDMYOKAJW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)", "dbo:iupacName": { "@language": "en", "@value": "Thiourea" }, "dbo:casNumber": "62-56-6", "skos:prefLabel": { "@language": "nl", "@value": "thioureum" }, "skos:notation": "tourm", "dbo:pubchem": { "@value": "6118", "@type": "xsd:int" }, "dbo:smiles": "C(=N)(N)S" }, { "@id": "csc:ZZYSLNWGKKDOML-UHFFFAOYSA-N", "dbo:casNumber": "119168-77-3", "dbo:inchi": "InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)", "skos:notation": "tebfprd", "dbo:pubchem": { "@value": "86354", "@type": "xsd:int" }, "dbp:inchikey": "ZZYSLNWGKKDOML-UHFFFAOYSA-N", "dbo:smiles": "CCC1=NN(C(=C1Cl)C(=O)NCC2=CC=C(C=C2)C(C)(C)C)C", "dbo:iupacName": { "@language": "en", "@value": "N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide" }, "dbo:formula": "C18H24ClN3O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "tebufenpyrad" }, "rdfs:seeAlso": { "@id": "compound:86354" }, "skos:broader": { "@id": "csc:CHEMONTID_0002811" } }, { "@id": "csc:WDNBURPWRNALGP-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1O)Cl)Cl", "dbp:inchikey": "WDNBURPWRNALGP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:formula": "C6H4Cl2O", "rdfs:seeAlso": { "@id": "compound:7258" }, "dbo:inchi": "InChI=1S/C6H4Cl2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dichloorfenol" }, "dbo:iupacName": { "@language": "en", "@value": "3,4-Dichlorophenol" }, "dbo:casNumber": "95-77-2", "dbo:pubchem": { "@value": "7258", "@type": "xsd:int" }, "skos:notation": "34DClFol" }, { "@id": "csc:UAIXRPCCYXNJMQ-CHLZSUIASA-N", "dbo:formula": "C29H42ClNO4", "dbo:casNumber": [ "52485-79-7", "64425-21-4", "53152-21-9", "53187-13-6", "55327-62-3" ], "skos:notation": "bupofne", "dbo:pubchem": { "@value": "11969480", "@type": "xsd:int" }, "dbo:smiles": "CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.Cl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(1S,2S,6R,14R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:11969480" }, "dbo:inchi": "InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26+,27-,28+,29?;/m1./s1", "dbp:inchikey": "UAIXRPCCYXNJMQ-CHLZSUIASA-N", "skos:prefLabel": { "@language": "nl", "@value": "buprenorfine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" } }, { "@id": "csc:VITSNECNFNNVQB-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C6H3Cl2NO2", "skos:prefLabel": { "@language": "nl", "@value": "2,6-dichloornitrobenzeen" }, "dbo:pubchem": { "@value": "11759", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "VITSNECNFNNVQB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1,3-Dichloro-2-nitrobenzene" }, "dbo:inchi": "InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H", "dbo:casNumber": "601-88-7", "rdfs:seeAlso": { "@id": "compound:11759" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" } }, { "@id": "csc:WZZRJCUYSKKFHO-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "WZZRJCUYSKKFHO-UHFFFAOYSA-N", "dbo:smiles": "CC(C(=O)O)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC=CC=C2", "dbo:inchi": "InChI=1S/C16H13Cl2NO3/c1-10(16(21)22)19(12-7-8-13(17)14(18)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)", "dbo:pubchem": { "@value": "90756", "@type": "xsd:int" }, "dbo:formula": "C16H13Cl2NO3", "skos:prefLabel": { "@language": "nl", "@value": "benzoylprop" }, "dbo:iupacName": { "@language": "en", "@value": "2-[benzoyl-(3,4-dichlorophenyl)amino]propanoic acid" }, "rdfs:seeAlso": { "@id": "compound:90756" }, "skos:broader": { "@id": "csc:CHEMONTID_0004713" }, "dbo:casNumber": "22212-56-2", "skos:notation": "benzypp" }, { "@id": "csc:YAYNEUUHHLGGAH-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "YAYNEUUHHLGGAH-UHFFFAOYSA-N", "skos:notation": "1ClC12a", "rdfs:seeAlso": { "@id": "compound:8192" }, "dbo:inchi": "InChI=1S/C12H25Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "1-Chlorododecane" }, "dbo:casNumber": "112-52-7", "dbo:smiles": "CCCCCCCCCCCCCl", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "dbo:formula": "C12H25Cl", "skos:prefLabel": { "@language": "nl", "@value": "1-chloordodecaan" }, "dbo:pubchem": { "@value": "8192", "@type": "xsd:int" } }, { "@id": "csc:XLOMVQKBTHCTTD-UHFFFAOYSA-N", "dbo:casNumber": [ "8051-03-4", "57206-86-7", "185461-95-4", "78590-82-6", "8047-36-7", "56592-00-8", "8050-42-8", "1314-13-2", "8011-84-5", "8047-69-6" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "oxozinc" }, "rdfs:seeAlso": { "@id": "compound:14806" }, "dbo:formula": "OZn", "dbo:pubchem": { "@value": "14806", "@type": "xsd:int" }, "dbp:inchikey": "XLOMVQKBTHCTTD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/O.Zn", "skos:prefLabel": { "@language": "nl", "@value": "zinkoxide" }, "dbo:smiles": "O=[Zn]", "skos:notation": "ZnO", "skos:broader": { "@id": "csc:CHEMONTID_0000538" } }, { "@id": "csc:YGDPIDTZOQGPAX-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=C(C(=C(C(=C1Cl)Cl)Cl)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbp:inchikey": "YGDPIDTZOQGPAX-UHFFFAOYSA-N", "skos:notation": "PCB207", "dbo:casNumber": "52663-79-3", "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,3',4,4',5,6,6'-nonachloorbifenyl" }, "rdfs:seeAlso": { "@id": "compound:91648" }, "dbo:pubchem": { "@value": "91648", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentachloro-6-(2,3,4,6-tetrachlorophenyl)benzene" }, "dbo:formula": "C12HCl9", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:UIWYJDYFSGRHKR-UHFFFAOYSA-N", "dbp:inchikey": "UIWYJDYFSGRHKR-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:23982" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Gd", "skos:prefLabel": { "@language": "nl", "@value": "gadolinium" }, "dbo:casNumber": [ "110123-54-1", "87677-94-9", "7440-54-2" ], "dbo:smiles": "[Gd]", "dbo:pubchem": { "@value": "23982", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:inchi": "InChI=1S/Gd", "dbo:iupacName": { "@language": "en", "@value": "GADOLINIUM" }, "dbo:formula": "Gd" }, { "@id": "csc:OCDAWJYGVOLXGZ-VPVMAENOSA-K", "dbo:iupacName": { "@language": "en", 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"InChI=1S/C24H50O12/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-30H,1-20H2", "rdfs:seeAlso": { "@id": "compound:171178" }, "dbo:smiles": "C(CO)COCC(C(C(C(COCCCO)OCCCO)OCCCO)OCCCO)OCCCO", "dbo:pubchem": { "@value": "171178", "@type": "xsd:int" }, "dbo:formula": "C24H50O12", "skos:altLabel": { "@language": "nl", "@value": "D-glucitol, gepropoxyleerd" }, "dbp:inchikey": "OJZGCEDLMNSDNY-UHFFFAOYSA-N" }, { "@id": "csc:DFZSBQYOXAUYCB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-methyl-5-nitrobenzene-1,3-diamine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000036" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "DFZSBQYOXAUYCB-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:96177" }, "dbo:formula": "C7H9N3O2", "dbo:inchi": "InChI=1S/C7H9N3O2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,8-9H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "2,4-diamino-6-nitrotolueen" }, "dbo:casNumber": "6629-29-4", "dbo:pubchem": { "@value": "96177", "@type": "xsd:int" }, "dbo:smiles": "CC1=C(C=C(C=C1[N+](=O)[O-])N)N", "skos:notation": "24DAo6NO2Tol" }, { "@id": "csc:USBWBBAUWVUJLA-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000188" }, "dbo:inchi": "InChI=1S/C12H19NO/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11/h5-8,10,13H,4,9H2,1-3H3", "dbo:iupacName": { "@language": "en", "@value": "N-ethyl-1-(4-methoxyphenyl)propan-2-amine" }, "dbp:inchikey": "USBWBBAUWVUJLA-UHFFFAOYSA-N", "skos:notation": "mebvrnAm", "dbo:casNumber": "14367-46-5", "dbo:pubchem": { "@value": "85725", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:85725" }, "dbo:formula": "C12H19NO", "skos:prefLabel": { "@language": "nl", "@value": "mebeverine amine" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCNC(C)CC1=CC=C(C=C1)OC" }, { 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"dbo:formula": "C9H13N", "skos:prefLabel": { "@language": "nl", "@value": "3,4,5-trimethylaniline" }, "dbo:smiles": "CC1=CC(=CC(=C1C)C)N", "dbo:inchi": "InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3", "skos:notation": "345TC1yAn" }, { "@id": "csc:OACYKCIZDVVNJL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "61209", "@type": "xsd:int" }, "dbo:smiles": "CC1CCC(=O)C1=O", "skos:prefLabel": { "@language": "nl", "@value": "3-methyl-1,2-cyclopentaandion" }, "dbo:casNumber": [ "765-70-8", "79299-96-0" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "3-Methylcyclopentane-1,2-dione" }, "rdfs:seeAlso": { "@id": "compound:61209" }, "dbo:formula": "C6H8O2", "skos:notation": "3C1y12ccC5aD", "dbo:inchi": "InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h4H,2-3H2,1H3", "skos:broader": { "@id": "csc:CHEMONTID_0003487" }, "dbp:inchikey": "OACYKCIZDVVNJL-UHFFFAOYSA-N" }, { "@id": "csc:PALAXWMMBSLIDB-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C12H6Br4/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6H", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:3017170" }, "dbo:formula": "C12H6Br4", "skos:prefLabel": { "@language": "nl", "@value": "2,2',4,5'-tetrabroombifenyl" }, "dbo:smiles": "C1=CC=C(C(=C1)C2=CC(=C(C=C2Br)Br)Br)Br", "dbo:casNumber": "60044-24-8", "dbo:pubchem": { "@value": "3017170", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-tribromo-5-(2-bromophenyl)benzene" }, "skos:broader": { "@id": "csc:CHEMONTID_0003954" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "PALAXWMMBSLIDB-UHFFFAOYSA-N", "skos:notation": "PBB49" }, { "@id": "csc:UBCKGWBNUIFUST-BJMVGYQFSA-N", "skos:notation": [ "T4Clvfs", "cT4Clvfs" ], "dbo:inchi": "InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5+", "dbo:iupacName": { "@language": "en", "@value": "[(E)-2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:altLabel": [ { "@language": "nl", "@value": "tetrachloorvinfos" }, { "@language": "nl", "@value": "cis-tetrachloorvinfos (z-isomeer)" }, { "@language": "nl", "@value": "cis-tetrachloorvinfos (Z-isomeer)" } ], "dbo:formula": "C10H9Cl4O4P", "dbo:casNumber": [ "961-11-5", "22248-79-9" ], "dbp:inchikey": "UBCKGWBNUIFUST-BJMVGYQFSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tetrachloorvinfos (mixed isomeren)" }, "rdfs:seeAlso": { "@id": "compound:5842000" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "COP(=O)(OC)OC(=CCl)C1=CC(=C(C=C1Cl)Cl)Cl", "skos:broader": { "@id": "csc:CHEMONTID_0000037" }, "dbo:pubchem": { "@value": "5842000", "@type": "xsd:int" } }, { "@id": "csc:GWEVSGVZZGPLCZ-UHFFFAOYSA-N", "dbo:casNumber": [ "12000-59-8", "116788-85-3", "188357-79-1", "12036-20-3", "12767-65-6", 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"en", "@value": "2-hydroxypropanoic acid" }, "dbo:inchi": "InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)", "dbp:inchikey": "JVTAAEKCZFNVCJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "melkzuur" }, "skos:notation": "melkzr" }, { "@id": "csc:VEENJGZXVHKXNB-VOTSOKGWSA-N", "dbo:pubchem": { "@value": "5371560", "@type": "xsd:int" }, "dbo:casNumber": [ "141-66-2", "3735-78-2" ], "dbo:formula": "C8H16NO5P", "skos:broader": { "@id": "csc:CHEMONTID_0003459" }, "skos:notation": "Dctfs", "skos:prefLabel": { "@language": "nl", "@value": "dicrotofos" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:5371560" }, "dbp:inchikey": "VEENJGZXVHKXNB-VOTSOKGWSA-N", "dbo:inchi": "InChI=1S/C8H16NO5P/c1-7(6-8(10)9(2)3)14-15(11,12-4)13-5/h6H,1-5H3/b7-6+", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(=CC(=O)N(C)C)OP(=O)(OC)OC", "dbo:iupacName": { "@language": "en", "@value": "['(4-dimethylamino-4-oxobut-2-en-2-yl) dimethyl phosphate', '[(E)-4-dimethylamino-4-oxobut-2-en-2-yl] dimethyl phosphate']" } }, { "@id": "csc:PESKGJQREUXSRR-JDIFZLMISA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "5bcholet3on", "dbo:smiles": "CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C", "dbo:formula": "C27H46O", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001469" }, "rdfs:seeAlso": { "@id": "compound:92132" }, "dbp:inchikey": "PESKGJQREUXSRR-JDIFZLMISA-N", "dbo:iupacName": { "@language": "en", "@value": "(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one" }, "dbo:inchi": "InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1", "dbo:pubchem": { "@value": "92132", 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"nl", "@value": "chloortrimethylbenzeen" }, "dbo:smiles": "CC1=CC(=C(C(=C1)C)Cl)C", "dbo:casNumber": "1667-04-5", "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbp:inchikey": "WDZACGWEPQLKOM-UHFFFAOYSA-N", "dbo:formula": "C9H11Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C9H11Cl/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-CHLORO-1,3,5-TRIMETHYLBENZENE" }, "rdfs:seeAlso": { "@id": "compound:15462" }, "skos:notation": "ClTC1yBen", "dbo:pubchem": { "@value": "15462", "@type": "xsd:int" } }, { "@id": "csc:DEDOPGXGGQYYMW-UHFFFAOYSA-N", "dbo:formula": "C9H17NOS", "skos:notation": "molnt", "dbo:smiles": "CCSC(=O)N1CCCCCC1", "dbp:inchikey": "DEDOPGXGGQYYMW-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "16653", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": 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"@type": "xsd:int" }, "dbp:inchikey": "NNMHYFLPFNGQFZ-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "polyacrylaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0004451" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "polaclt", "rdfs:seeAlso": { "@id": "compound:24013" }, "dbo:iupacName": { "@language": "en", "@value": "sodium prop-2-enoate" }, "dbo:formula": "C3H3NaO2", "dbo:smiles": "C=CC(=O)[O-].[Na+]" }, { "@id": "csc:WBPYTXDJUQJLPQ-VMXQISHHSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC", "dbo:inchi": "InChI=1S/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1", "dbo:formula": "C46H77NO17", "rdfs:seeAlso": { "@id": "compound:5280440" }, "skos:notation": "tylsne", "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde" }, "skos:prefLabel": { 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{ "@value": "60846", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:60846" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:YLYBTZIQSIBWLI-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8164" }, "dbo:iupacName": { "@language": "en", "@value": "Octyl acetate" }, "dbp:inchikey": "YLYBTZIQSIBWLI-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "octylacetaat" }, "skos:notation": "C8yactt", "dbo:formula": "C10H20O2", "skos:broader": { "@id": "csc:CHEMONTID_0001722" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3", "dbo:casNumber": "112-14-1", "dbo:smiles": "CCCCCCCCOC(=O)C", "dbo:pubchem": { "@value": "8164", "@type": "xsd:int" } }, { "@id": "csc:XKJCHHZQLQNZHY-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": 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"csc:CHEMONTID_0003370" }, "rdfs:seeAlso": { "@id": "compound:2272" }, "dbo:pubchem": { "@value": "2272", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C12H10N2" }, { "@id": "csc:ZHTROMYSDSTCCE-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C16H18/c1-11-5-7-13(3)15(9-11)16-10-12(2)6-8-14(16)4/h5-10H,1-4H3", "dbp:inchikey": "ZHTROMYSDSTCCE-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)C)C2=C(C=CC(=C2)C)C", "dbo:pubchem": { "@value": "137818", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2,5-dimethylphenyl)-1,4-dimethylbenzene" }, "skos:notation": "2255T4C1y11b", "dbo:formula": "C16H18", "skos:prefLabel": { "@language": "nl", "@value": "2,2',5,5'-tetramethyl-1,1'-bifenyl" }, "dbo:casNumber": "3075-84-1", "rdfs:seeAlso": { "@id": "compound:137818" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } 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"141631-77-8" ], "dbo:smiles": "[Zr]", "rdfs:seeAlso": { "@id": "compound:23995" }, "dbo:iupacName": { "@language": "en", "@value": "ZIRCONIUM" }, "skos:notation": "Zr", "dbp:inchikey": "QCWXUUIWCKQGHC-UHFFFAOYSA-N" }, { "@id": "csc:WPYCRFCQABTEKC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane" }, "skos:notation": "DGRE", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:7586" }, "dbo:casNumber": [ "101-90-6", "168331-52-0" ], "dbo:formula": "C12H14O4", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:altLabel": { "@language": "nl", "@value": "diglycidyl resorcinol ether (DGRE)" }, "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "skos:prefLabel": { "@language": "nl", "@value": "diglycidyl resorcinol ether (dgre)" }, "dbp:inchikey": "WPYCRFCQABTEKC-UHFFFAOYSA-N", "dbo:smiles": "C1C(O1)COC2=CC(=CC=C2)OCC3CO3", "dbo:pubchem": { "@value": "7586", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2" }, { "@id": "csc:SIDINRCMMRKXGQ-UHFFFAOYSA-N", "dbo:smiles": "C(=O)(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O", "skos:notation": [ "PFUnDA", "PFUdA" ], "skos:altLabel": [ { "@language": "nl", "@value": "perfluor-n-undecaanzuur (pfunda)" }, { "@language": "nl", "@value": "perfluorundecaanzuur (pfunda)" }, { "@language": "nl", "@value": "perfluorundecaanzuur" } ], "dbp:inchikey": "SIDINRCMMRKXGQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "77222", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003962" }, "dbo:casNumber": "2058-94-8", "dbo:iupacName": { "@language": "en", "@value": "2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid" }, "rdfs:seeAlso": { "@id": "compound:77222" }, "dbo:inchi": "InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)", "skos:prefLabel": { "@language": "nl", "@value": "perfluor-n-undecaanzuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C11HF21O2" }, { "@id": "csc:KFAKZJUYBOYVKA-UHFFFAOYSA-N", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)Cl", "skos:notation": "25DClTol", "skos:prefLabel": { "@language": "nl", "@value": "2,5-dichloortolueen" }, "dbp:inchikey": "KFAKZJUYBOYVKA-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:29572" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "29572", "@type": "xsd:int" }, "dbo:formula": "C7H6Cl2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:inchi": "InChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3", "dbo:casNumber": "19398-61-9", "dbo:iupacName": { "@language": "en", "@value": "1,4-dichloro-2-methylbenzene" } }, { "@id": "csc:SUPCQIBBMFXVTL-UHFFFAOYSA-N", "dbp:inchikey": "SUPCQIBBMFXVTL-UHFFFAOYSA-N", "skos:notation": "C2ymtclt", "dbo:casNumber": [ "9003-42-3", "133775-64-1", "179799-95-2", "137431-11-9", "61584-93-8", "128440-92-6", "187170-02-1", "97-63-2" ], "rdfs:seeAlso": { "@id": "compound:7343" }, "dbo:inchi": "InChI=1S/C6H10O2/c1-4-8-6(7)5(2)3/h2,4H2,1,3H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CCOC(=O)C(=C)C", "skos:broader": { "@id": "csc:CHEMONTID_0003626" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "ethylmethacrylaat" }, "dbo:iupacName": { "@language": "en", "@value": "ethyl 2-methylprop-2-enoate" }, "skos:altLabel": { "@language": "nl", "@value": "ethylmetacrylaat" }, "dbo:formula": "C6H10O2", "dbo:pubchem": { "@value": "7343", "@type": "xsd:int" } }, { "@id": "csc:YYGNTYWPHWGJRM-AAJYLUCBSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001553" }, "dbo:pubchem": { "@value": "638072", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+", "dbo:casNumber": [ "94016-35-0", "111-02-4", "7683-64-9" ], "skos:prefLabel": { "@language": "nl", "@value": "squaleen" }, "dbo:iupacName": { "@language": "en", "@value": "['2,6,10,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene', '(14E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene']" }, "rdfs:seeAlso": { "@id": "compound:638072" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C30H50", "skos:notation": "squaln", "dbo:smiles": "CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C", "dbp:inchikey": "YYGNTYWPHWGJRM-AAJYLUCBSA-N" }, { "@id": "csc:WMIYKQLTONQJES-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "hexafluorethaan" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C(C(F)(F)F)(F)(F)F", "dbo:casNumber": "76-16-4", "rdfs:seeAlso": { "@id": "compound:6431" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,2-hexafluoroethane" }, "skos:altLabel": { "@language": "nl", "@value": "perfluorethaan" }, "dbp:inchikey": "WMIYKQLTONQJES-UHFFFAOYSA-N", "skos:definition": { "@language": "nl", "@value": "Hexafluorethaan is een kleurloos, geurloos gas. Het is relatief inert. Het mengsel is niet ontvlambaar en niet giftig, hoewel verstikking kan optreden als gevolg van verdringing van zuurstof. Bij langdurige blootstelling aan vuur of intense hitte kunnen de containers met geweld scheuren en wegschieten." }, "dbo:inchi": "InChI=1S/C2F6/c3-1(4,5)2(6,7)8", "skos:notation": "C2F6", "dbo:formula": "C2F6", "dbo:pubchem": { "@value": "6431", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" } }, { "@id": "csc:WOZQBERUBLYCEG-UHFFFAOYSA-N", "dbo:formula": "C8H7Cl2NO2", "rdfs:seeAlso": { "@id": "compound:15969" }, "skos:prefLabel": { "@language": "nl", "@value": "swep" }, "dbp:inchikey": "WOZQBERUBLYCEG-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "15969", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C8H7Cl2NO2/c1-13-8(12)11-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H,11,12)", "dbo:iupacName": { "@language": "en", "@value": "Methyl N-(3,4-dichlorophenyl)carbamate" }, "dbo:smiles": "COC(=O)NC1=CC(=C(C=C1)Cl)Cl", "skos:notation": "swep", "dbo:casNumber": "1918-18-9", "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:TUAHORSUHVUKBD-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "Benzo[c]phenanthrene" }, "skos:broader": { "@id": "csc:CHEMONTID_0000025" }, "rdfs:seeAlso": { "@id": "compound:9136" }, "dbp:inchikey": "TUAHORSUHVUKBD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "benzo(c)fenantreen" }, "dbo:smiles": "C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C=C3", "skos:notation": "BcFen", "dbo:formula": "C18H12", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "9136", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C18H12/c1-3-7-16-13(5-1)9-11-15-12-10-14-6-2-4-8-17(14)18(15)16/h1-12H", "dbo:casNumber": "195-19-7" }, { "@id": "csc:UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "dbo:formula": "C11H16N2O3", "dbo:smiles": "CC(C)CC1(C(=O)NC(=O)NC1=O)CC=C", "skos:notation": "butbtl", "dbo:casNumber": "77-26-9", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "butalbital" }, "rdfs:seeAlso": { "@id": "compound:2481" }, "dbo:iupacName": { "@language": "en", "@value": "5-(2-methylpropyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione" }, "skos:broader": { "@id": "csc:CHEMONTID_0000292" }, "dbp:inchikey": "UZVHFVZFNXBMQJ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "2481", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C11H16N2O3/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16)" }, { "@id": "csc:QGHREAKMXXNCOA-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:pubchem": { "@value": "3085", "@type": "xsd:int" }, "dbo:casNumber": [ "23564-05-8", "50814-12-5" ], "dbo:inchi": "InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)", "dbo:formula": "C12H14N4O4S2", "dbp:inchikey": "QGHREAKMXXNCOA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "thiofanaat-methyl" }, "rdfs:seeAlso": { "@id": "compound:3085" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "tofnC1y", "dbo:iupacName": { "@language": "en", "@value": "methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" }, "dbo:smiles": "COC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OC)S)S" }, { "@id": "csc:ZKRSTHSWOFIHMZ-UHFFFAOYSA-N", "dbp:inchikey": "ZKRSTHSWOFIHMZ-UHFFFAOYSA-N", "dbo:formula": "C7H2Cl6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5,6-hexachlorobicyclo[2.2.1]hepta-2,5-diene" }, "dbo:smiles": "C1C2(C(=C(C1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:3036943" }, "dbo:inchi": "InChI=1S/C7H2Cl6/c8-2-3(9)7(13)1-6(2,12)4(10)5(7)11/h1H2", "dbo:pubchem": { "@value": "3036943", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "hexachloor-biclyclo(2,2,1)-2,5-heptadieen" }, "skos:notation": "HxClbcc22125", "dbo:casNumber": "28680-44-6" }, { "@id": "csc:OKOCIUJVPQKDLL-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "N-(carboxymethyl)-N,N-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide" }, "dbo:pubchem": { "@value": "118691", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-[dimethyl-[3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctylsulfonylamino)propyl]azaniumyl]acetate" }, "skos:notation": "Capstone B (CDPOS)", "rdfs:seeAlso": { "@id": "compound:118691" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002404" }, "dbo:casNumber": "34455-29-3", "dbo:smiles": "C[N+](C)(CCCNS(=O)(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)[O-]", "dbo:inchi": "InChI=1S/C15H19F13N2O4S/c1-30(2,8-9(31)32)6-3-5-29-35(33,34)7-4-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h29H,3-8H2,1-2H3", "dbo:formula": "C15H19F13N2O4S", "skos:altLabel": { "@language": "nl", "@value": "n-(carboxymethyl)-n,n-dimethyl-3-((((perfluorhexyl)ethyl)sulfonyl)amino)-, hydroxide" }, "dbp:inchikey": "OKOCIUJVPQKDLL-UHFFFAOYSA-N" }, { "@id": "csc:WABPQHHGFIMREM-AKLPVKDBSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000427" }, "dbo:formula": "Pb", "dbo:iupacName": { "@language": "en", "@value": "lead-210" }, "dbo:inchi": "InChI=1S/Pb/i1+3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "lood 210" }, "dbo:smiles": "[Pb]", 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"[\"(E)-N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\", \"N-[(6-chloropyridin-3-yl)methyl]-N-ethyl-N'-methyl-2-nitroethene-1,1-diamine\"]" }, "skos:notation": "E-nitprm", "dbo:inchi": "InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+", "rdfs:seeAlso": { "@id": "compound:3034287" }, "dbo:casNumber": "150824-47-8", "dbp:inchikey": "CFRPSFYHXJZSBI-DHZHZOJOSA-N" }, { "@id": "csc:HECLRDQVFMWTQS-UHFFFAOYSA-N", "dbo:casNumber": [ "25038-78-2", "54335-17-0", "60328-38-3", "77-73-6", "1755-01-7", "151065-56-4", "45737-84-6", "107760-16-7" ], "dbp:inchikey": "HECLRDQVFMWTQS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "dicyclopentadieen" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "6492", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004149" }, "skos:notation": "DccPeDen", "dbo:inchi": 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"xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3,3-dimethylbutanoate" }, "dbp:inchikey": "TZIZWYVVGLXXFV-FLRHRWPCSA-N", "skos:prefLabel": { "@language": "nl", "@value": "triamcinolonehexacetonide" }, "rdfs:seeAlso": { "@id": "compound:21826" } }, { "@id": "csc:ATCRIUVQKHMXSH-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H4Cl2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0002611" }, "dbp:inchikey": "ATCRIUVQKHMXSH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:5787" }, "dbo:pubchem": { "@value": "5787", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C=C1Cl)Cl)C(=O)O", "dbo:formula": "C7H4Cl2O2", "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichlorobenzoic acid" }, "dbo:casNumber": "50-84-0", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dichloorbenzoezuur" }, "skos:notation": "24DClbenzzr" }, { "@id": "csc:NTJOBXMMWNYJFB-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "2159", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001917" }, "dbo:smiles": "CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC", "dbo:inchi": "InChI=1S/C17H27N3O4S/c1-4-20-8-6-7-12(20)11-19-17(21)13-9-16(25(22,23)5-2)14(18)10-15(13)24-3/h9-10,12H,4-8,11,18H2,1-3H3,(H,19,21)", "skos:prefLabel": { "@language": "nl", "@value": "amisulpride" }, "dbp:inchikey": "NTJOBXMMWNYJFB-UHFFFAOYSA-N", "skos:notation": "amspde", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C17H27N3O4S", "rdfs:seeAlso": { "@id": "compound:2159" }, "dbo:casNumber": "71675-85-9" }, { "@id": "csc:GUTLYIVDDKVIGB-YPZZEJLDSA-N", "dbo:smiles": "[Co]", "skos:prefLabel": { "@language": "nl", "@value": "kobalt 57" }, "dbo:inchi": "InChI=1S/Co/i1-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "Co57", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "cobalt-57" }, "dbp:inchikey": "GUTLYIVDDKVIGB-YPZZEJLDSA-N", "dbo:formula": "Co", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:casNumber": "13981-50-5", "dbo:pubchem": { "@value": "104851", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:104851" } }, { "@id": "csc:MKIMSXGUTQTKJU-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MKIMSXGUTQTKJU-UHFFFAOYSA-N", "skos:notation": [ "propmcb", "propmcbHCl" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "propamocarb" }, "dbo:iupacName": { "@language": "en", "@value": "dimethyl-[3-(propoxycarbonylamino)propyl]azanium chloride" }, "rdfs:seeAlso": { "@id": "compound:33112" }, "dbo:formula": "C9H21ClN2O2", "skos:prefLabel": { "@language": "nl", "@value": "propamocarb hydrochloride" }, "dbo:pubchem": { "@value": "33112", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C9H20N2O2.ClH/c1-4-8-13-9(12)10-6-5-7-11(2)3;/h4-8H2,1-3H3,(H,10,12);1H", "dbo:casNumber": [ "24579-73-5", "25606-41-1" ], "skos:broader": { "@id": "csc:CHEMONTID_0002239" }, "dbo:smiles": "CCCOC(=O)NCCC[NH+](C)C.[Cl-]" }, { "@id": "csc:LWLJUMBEZJHXHV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "LWLJUMBEZJHXHV-UHFFFAOYSA-N", "dbo:formula": "C10Cl10", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "dienochloor" }, "dbo:smiles": "C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentachloro-5-(1,2,3,4,5-pentachloro-1-cyclopenta-2,4-dienyl)cyclopenta-1,3-diene" }, "dbo:pubchem": { "@value": "16686", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:16686" }, "dbo:casNumber": "2227-17-0", "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "dbo:inchi": "InChI=1S/C10Cl10/c11-1-2(12)6(16)9(19,5(1)15)10(20)7(17)3(13)4(14)8(10)18", "skos:notation": "DenCl" }, { "@id": "csc:VBJZVLUMGGDVMO-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "Hf", "dbo:smiles": "[Hf]", "rdfs:seeAlso": { "@id": "compound:23986" }, "skos:prefLabel": { "@language": "nl", "@value": "hafnium" }, "skos:notation": "Hf", "dbo:pubchem": { "@value": "23986", "@type": "xsd:int" }, "dbo:casNumber": [ "412316-00-8", "7440-58-6" ], "dbo:iupacName": { "@language": "en", "@value": "HAFNIUM" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Hf", "dbp:inchikey": "VBJZVLUMGGDVMO-UHFFFAOYSA-N" }, { "@id": "csc:HCJLVWUMMKIQIM-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 2,3,4,5,6-pentachlorophenolate" }, "skos:notation": "NaPeClfnt", "dbo:formula": "C6Cl5NaO", "dbo:pubchem": { "@value": "8568", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8568" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbo:inchi": "InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1", "skos:prefLabel": { "@language": "nl", "@value": "natriumpentachloorfenaat" }, "dbo:smiles": "C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]", "dbp:inchikey": "HCJLVWUMMKIQIM-UHFFFAOYSA-M", "dbo:casNumber": "131-52-2" }, { "@id": "csc:IDOWTHOLJBTAFI-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "[3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate" }, "skos:prefLabel": { "@language": "nl", "@value": "fenmedifam" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "rdfs:seeAlso": { "@id": "compound:24744" }, "dbo:inchi": "InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)", "dbo:smiles": "CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)NC(=O)OC", "dbo:casNumber": "13684-63-4", "dbo:pubchem": { "@value": "24744", "@type": "xsd:int" }, "dbo:formula": "C16H16N2O4", "skos:notation": "fenmdfm", "dbp:inchikey": "IDOWTHOLJBTAFI-UHFFFAOYSA-N" }, { "@id": "csc:CMGDVUCDZOBDNL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "122499", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:altLabel": { "@language": "nl", "@value": "4-methyl-1H-benzotriazool" }, "dbo:smiles": "CC1=CC=CC2=NNN=C12", "skos:notation": [ "4C1y1Hbztazl", "C1y1Hbztazl" ], "skos:broader": { "@id": "csc:CHEMONTID_0000315" }, "dbo:iupacName": { "@language": "en", "@value": "4-methyl-2H-benzotriazole" }, "rdfs:seeAlso": { "@id": "compound:122499" }, "dbo:formula": "C7H7N3", "dbo:inchi": "InChI=1S/C7H7N3/c1-5-3-2-4-6-7(5)9-10-8-6/h2-4H,1H3,(H,8,9,10)", "dbo:casNumber": [ "29385-43-1", "29878-31-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "methyl-1H-benzotriazool" }, "dbp:inchikey": "CMGDVUCDZOBDNL-UHFFFAOYSA-N" }, { "@id": "csc:ZAGRQXMWMRUYRB-UHFFFAOYSA-N", "skos:notation": "PCB160", "dbo:casNumber": [ "41411-62-5", "74472-44-9" ], "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "ZAGRQXMWMRUYRB-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "rdfs:seeAlso": { "@id": "compound:63079" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-tetrachloro-3-(3,4-dichlorophenyl)benzene" }, "dbo:pubchem": { "@value": "63079", "@type": "xsd:int" }, "dbo:formula": "C12H4Cl6", "dbo:smiles": "C1=CC(=C(C=C1C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl)Cl", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-6-2-1-5(3-7(6)14)10-11(17)8(15)4-9(16)12(10)18/h1-4H", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,3,3',4,5,6-hexachloorbifenyl" } }, { "@id": "csc:WSPOMRSOLSGNFJ-AUWJEWJLSA-N", "skos:notation": "Clptxne", "dbo:casNumber": "113-59-7", "dbo:formula": "C18H18ClNS", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000199" }, "skos:prefLabel": { "@language": "nl", "@value": "chloorprothixene" }, "dbo:smiles": "CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "667467", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-", "dbp:inchikey": "WSPOMRSOLSGNFJ-AUWJEWJLSA-N", "dbo:iupacName": { "@language": "en", "@value": "(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine" }, "rdfs:seeAlso": { "@id": "compound:667467" } }, { "@id": "csc:MTVNAPYHLASOSX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:606997" }, "dbo:pubchem": { "@value": "606997", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "19814-75-6", "skos:notation": "99DC1yxtn", "skos:prefLabel": { "@language": "nl", "@value": "9,9-dimethylxantheen" }, "dbp:inchikey": "MTVNAPYHLASOSX-UHFFFAOYSA-N", "dbo:formula": "C15H14O", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC1(C2=CC=CC=C2OC3=CC=CC=C31)C", "dbo:iupacName": { "@language": "en", "@value": "9,9-Dimethylxanthene" }, "dbo:inchi": "InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0000200" } }, { "@id": "csc:VXQBJTKSVGFQOL-UHFFFAOYSA-N", "dbo:formula": "C10H20O4", "dbo:iupacName": { "@language": "en", "@value": "2-(2-Butoxyethoxy)ethyl acetate" }, "skos:notation": "22C4oxC2ox02", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbp:inchikey": "VXQBJTKSVGFQOL-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "31288", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2-(2-butoxyethoxy)ethylacetaat" }, "dbo:casNumber": [ "124-17-4", "98100-70-0" ], "dbo:inchi": "InChI=1S/C10H20O4/c1-3-4-5-12-6-7-13-8-9-14-10(2)11/h3-9H2,1-2H3", "rdfs:seeAlso": { "@id": "compound:31288" }, "dbo:smiles": "CCCCOCCOCCOC(=O)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001238" } }, { "@id": "csc:NJCBUSHGCBERSK-UHFFFAOYSA-N", "skos:definition": { "@language": "nl", "@value": "Dodecafluorpentaan is pentaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een pentaan." }, "dbp:inchikey": "NJCBUSHGCBERSK-UHFFFAOYSA-N", "dbo:casNumber": "678-26-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:altLabel": { "@language": "nl", "@value": "perfluorpentaan" }, "dbo:formula": "C5F12", "dbo:inchi": "InChI=1S/C5F12/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)17", "rdfs:seeAlso": { "@id": "compound:12675" }, "dbo:pubchem": { "@value": "12675", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,3,3,4,4,5,5,5-dodecafluoropentane" }, "skos:notation": "C5F12", "dbo:smiles": "C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "dodecafluorpentaan" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" } }, { "@id": "csc:OKBJVIVEFXPEOU-UHFFFAOYSA-N", "dbo:formula": "C12H4Cl6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": 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"csc:YLQLIQIAXYRMDL-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "2-Propylheptan-1-ol" }, "rdfs:seeAlso": { "@id": "compound:24847" }, "skos:prefLabel": { "@language": "nl", "@value": "2-propyl-1-heptanol" }, "dbo:inchi": "InChI=1S/C10H22O/c1-3-5-6-8-10(9-11)7-4-2/h10-11H,3-9H2,1-2H3", "skos:notation": "2C3y1C7ol", "dbp:inchikey": "YLQLIQIAXYRMDL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCC(CCC)CO", "dbo:formula": "C10H22O", "dbo:pubchem": { "@value": "24847", "@type": "xsd:int" }, "dbo:casNumber": "10042-59-8", "skos:broader": { "@id": "csc:CHEMONTID_0001334" } }, { "@id": "csc:QZCLKYGREBVARF-UHFFFAOYSA-N", "skos:notation": "TC4yactcitt", "dbo:casNumber": [ "77-90-7", "37070-91-0" ], "dbo:formula": "C20H34O8", "dbo:smiles": "CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C", "dbo:pubchem": { "@value": "6505", "@type": "xsd:int" }, "dbo:inchi": 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"15787", "@type": "xsd:int" }, "skos:notation": "NO2fn", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2,4-Dichloro-1-(4-nitrophenoxy)benzene" }, "skos:prefLabel": { "@language": "nl", "@value": "nitrofen" }, "skos:broader": { "@id": "csc:CHEMONTID_0004155" }, "dbo:formula": "C12H7Cl2NO3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)Cl", "dbo:inchi": "InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H" }, { "@id": "csc:PCHJSUWPFVWCPO-OUBTZVSYSA-N", "dbo:smiles": "[Au]", "dbo:formula": "Au", "dbo:iupacName": { "@language": "en", "@value": "gold-198" }, "dbo:casNumber": "10043-49-9", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:pubchem": { "@value": "66274", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:inchi": "InChI=1S/Au/i1+1", "dbp:inchikey": 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"xsd:int" } }, { "@id": "csc:PRLINSMUYJWPBL-UHFFFAOYSA-N", "dbo:smiles": "CC(C)(C)C1=CC(=C(C=C1)O)Cl", "rdfs:seeAlso": { "@id": "compound:7380" }, "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbo:formula": "C10H13ClO", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-4-tert-butylfenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "98-28-2", "dbo:iupacName": { "@language": "en", "@value": "4-tert-Butyl-2-chlorophenol" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "7380", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H13ClO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h4-6,12H,1-3H3", "dbp:inchikey": "PRLINSMUYJWPBL-UHFFFAOYSA-N" }, { "@id": "csc:KFSLWBXXFJQRDL-UHFFFAOYSA-N", "dbo:smiles": "CC(=O)OO", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:notation": "perOxHAc", "dbo:iupacName": { "@language": "en", "@value": "Ethaneperoxoic acid" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6585" }, "dbo:casNumber": [ "79-21-0", "89370-71-8" ], "dbp:inchikey": "KFSLWBXXFJQRDL-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002446" }, "skos:prefLabel": { "@language": "nl", "@value": "peroxyazijnzuur" }, "dbo:inchi": "InChI=1S/C2H4O3/c1-2(3)5-4/h4H,1H3", "dbo:formula": "C2H4O3", "dbo:pubchem": { "@value": "6585", "@type": "xsd:int" } }, { "@id": "csc:PHTQWCKDNZKARW-UHFFFAOYSA-N", "dbo:casNumber": [ "123-51-3", "6423-06-9" ], "dbo:pubchem": { "@value": "31260", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC(C)CCO", "dbo:formula": "C5H12O", "skos:prefLabel": { "@language": "nl", "@value": "3-methylbutan-1-ol" }, "dbo:iupacName": { "@language": "en", "@value": "3-Methylbutan-1-ol" }, "skos:notation": "3C1y1C4ol", "dbp:inchikey": "PHTQWCKDNZKARW-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:31260" }, "skos:broader": { "@id": "csc:CHEMONTID_0000286" } }, { "@id": "csc:KLOZZZNFJYMTNE-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003098" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "2Cl6FBenAd", "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-6-fluorobenzamide" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "KLOZZZNFJYMTNE-UHFFFAOYSA-N", "dbo:casNumber": "66073-54-9", "rdfs:seeAlso": { "@id": "compound:98564" }, "dbo:pubchem": { "@value": "98564", "@type": "xsd:int" }, "dbo:formula": "C7H5ClFNO", "dbo:inchi": "InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-6-fluorbenzamide" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)C(=O)N)F" }, { "@id": "csc:OWZREIFADZCYQD-DXCJPMOASA-N", "dbo:pubchem": { "@value": "47354", "@type": "xsd:int" }, "dbo:casNumber": "64363-96-8", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "[cyano-[3-(phenoxy)phenyl]methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate" }, "dbo:formula": "C22H19Br2NO3", "skos:notation": "tdmtn", "rdfs:seeAlso": { "@id": "compound:47354" }, "dbo:inchi": "InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18?,20-/m0/s1", "dbo:smiles": "CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C", "skos:prefLabel": { "@language": "nl", "@value": "trans-deltamethrin" }, "skos:broader": { "@id": "csc:CHEMONTID_0001461" }, "dbp:inchikey": "OWZREIFADZCYQD-DXCJPMOASA-N" }, { "@id": "csc:QTTRZHGPGKRAFB-PAIWTFDUSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(10R,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one" }, "skos:notation": "rimoln", "dbo:formula": "C24H34O3", "skos:prefLabel": { "@language": "nl", "@value": "rimexolon" }, "dbo:casNumber": "49697-38-3", "dbp:inchikey": "QTTRZHGPGKRAFB-PAIWTFDUSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003058" }, "dbo:pubchem": { "@value": "39507", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C24H34O3/c1-6-20(27)24(5)14(2)11-18-17-8-7-15-12-16(25)9-10-22(15,3)21(17)19(26)13-23(18,24)4/h9-10,12,14,17-19,21,26H,6-8,11,13H2,1-5H3/t14-,17?,18?,19+,21?,22+,23+,24-/m1/s1", "dbo:smiles": "CCC(=O)C1(C(CC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)C)C", "rdfs:seeAlso": { "@id": "compound:39507" } }, { "@id": "csc:OHMHBGPWCHTMQE-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "skos:notation": "HCFK123", "rdfs:seeAlso": { "@id": "compound:9385" }, 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"MLKCGVHIFJBRCD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3", "dbo:formula": "C15H14Cl2F3N3O3", "skos:notation": "carftznC2y", "skos:prefLabel": { "@language": "nl", "@value": "carfentrazon-ethyl" }, "dbo:smiles": "CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl", "dbo:pubchem": { "@value": "86222", "@type": "xsd:int" } }, { "@id": "csc:LMCOQDVJBWVNNI-UHFFFAOYSA-N", "dbo:formula": "C7H7ClO2S", "dbo:smiles": "CS(=O)(=O)C1=CC=C(C=C1)Cl", "dbo:iupacName": { "@language": "en", "@value": "1-chloro-4-methylsulfonylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "98-57-7", "rdfs:seeAlso": { "@id": "compound:7395" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "1Cl4C1ysfnBe", "dbp:inchikey": "LMCOQDVJBWVNNI-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "7395", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004233" }, "skos:prefLabel": { "@language": "nl", "@value": "1-chloor-4-(methylsulfonyl)benzeen" }, "dbo:inchi": "InChI=1S/C7H7ClO2S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3" }, { "@id": "csc:JCVAWLVWQDNEGS-UHFFFAOYSA-N", "dbo:formula": "C10H25NO5S", "dbo:casNumber": "63665-16-7", "dbo:smiles": "CC(CNCC(C)O)O.C1CCS(=O)(=O)C1.O", "skos:altLabel": { "@language": "nl", "@value": "sulfinol D" }, "dbp:inchikey": "JCVAWLVWQDNEGS-UHFFFAOYSA-N", "skos:notation": "sulfnD", "dbo:inchi": "InChI=1S/C6H15NO2.C4H8O2S.H2O/c1-5(8)3-7-4-6(2)9;5-7(6)3-1-2-4-7;/h5-9H,3-4H2,1-2H3;1-4H2;1H2", "dbo:iupacName": { "@language": "en", "@value": "1-(2-hydroxypropylamino)propan-2-ol; thiolane 1,1-dioxide; hydrate" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfinol d" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:190009" }, "dbo:pubchem": { "@value": "190009", "@type": 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"csc:VHRGRCVQAFMJIZ-UHFFFAOYSA-N", "dbp:inchikey": "VHRGRCVQAFMJIZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(CCN)CCN", "skos:notation": "15C5aDAe", "skos:prefLabel": { "@language": "nl", "@value": "1,5-pentaandiamine" }, "skos:broader": { "@id": "csc:CHEMONTID_0000469" }, "rdfs:seeAlso": { "@id": "compound:273" }, "dbo:inchi": "InChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2", "dbo:casNumber": "462-94-2", "dbo:iupacName": { "@language": "en", "@value": "PENTANE-1,5-DIAMINE" }, "dbo:formula": "C5H14N2", "dbo:pubchem": { "@value": "273", "@type": "xsd:int" } }, { "@id": "csc:QAOJBHRZQQDFHA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "5765", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5765" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": 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"N-[(2S,3R,4R,6S)-6-[(2S,3R,4S,6R)-6-[(1'R,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,16'Z,20'R,21'R,24'S)-21',24'-dihydroxy-3,11',13',22'-tetramethyl-2'-oxo-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-12'-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl]acetamide" }, "dbo:smiles": "CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "epnmtn", "dbo:formula": "C49H73NO14", "dbo:casNumber": [ "123997-26-2", "159628-36-1" ], "skos:prefLabel": { "@language": "nl", "@value": "eprinomectin" }, "dbo:inchi": "InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12-,27-15-,33-14-/t26-,28-,30-,31-,34+,35-,36-,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,48+,49+/m0/s1", "rdfs:seeAlso": { "@id": "compound:6450531" }, "dbo:pubchem": { "@value": "6450531", "@type": "xsd:int" }, "dbp:inchikey": "WPNHOHPRXXCPRA-TVXIRPTOSA-N" }, { "@id": "csc:AKNQMEBLVAMSNZ-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:43233" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:pubchem": { "@value": "43233", "@type": "xsd:int" }, "dbo:smiles": "C1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl", "dbo:formula": "C12H11Cl2N3O2", "dbo:casNumber": "60207-31-0", "skos:prefLabel": { "@language": "nl", "@value": "azaconazool" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "azacnzl", "dbo:iupacName": { "@language": "en", "@value": "1-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C12H11Cl2N3O2/c13-9-1-2-10(11(14)5-9)12(18-3-4-19-12)6-17-8-15-7-16-17/h1-2,5,7-8H,3-4,6H2", "dbp:inchikey": "AKNQMEBLVAMSNZ-UHFFFAOYSA-N" }, { "@id": "csc:LBCZOTMMGHGTPH-UHFFFAOYSA-N", "dbo:casNumber": [ "73904-96-8", "39283-49-3", "39320-65-5", "12679-74-2", "53858-66-5", "1336-60-3", "120026-27-9", "58056-95-4", "55600-46-9", "9081-83-8", "68310-57-6", "188612-22-8", "9036-19-5", "59112-84-4", "11130-43-1", "141443-66-5", "39316-46-6", "71538-51-7", "50815-48-0", "52628-05-4", "39341-03-2", "54834-97-8", "63172-50-9", "77137-66-7", "53663-54-0" ], "dbo:iupacName": { "@language": "en", "@value": "2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanol" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCO", "rdfs:seeAlso": { "@id": "compound:24775" }, "dbp:inchikey": "LBCZOTMMGHGTPH-UHFFFAOYSA-N", "dbo:formula": "C18H30O3", "dbo:inchi": "InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3", "skos:broader": { "@id": "csc:CHEMONTID_0002811" }, "dbo:pubchem": { "@value": "24775", "@type": "xsd:int" }, "skos:notation": "C8yfOxplC2ox", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "octylfenoxypolyethoxyethanol" } }, { "@id": "csc:PWYIUEFFPNVCMW-UHFFFAOYSA-N", "dbo:formula": "C13H21O4PS", "dbo:inchi": "InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3", "skos:prefLabel": { "@language": "nl", "@value": "propafos" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", "@value": "(4-methylsulfanylphenyl) dipropyl phosphate" }, "dbp:inchikey": "PWYIUEFFPNVCMW-UHFFFAOYSA-N", "skos:notation": "propfs", "dbo:casNumber": "7292-16-2", "rdfs:seeAlso": { "@id": "compound:23717" }, "dbo:pubchem": { "@value": "23717", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004742" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCOP(=O)(OCCC)OC1=CC=C(C=C1)SC" }, { "@id": "csc:YFNCATAIYKQPOO-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "31991", "@type": "xsd:int" }, "dbo:formula": "C14H18N4O4S2", "dbo:casNumber": [ "37233-54-8", "39300-54-4", "23564-06-9", "37359-51-6" ], "skos:prefLabel": { "@language": "nl", "@value": "thiofanaat-ethyl" }, "dbo:smiles": "CCOC(=O)N=C(NC1=CC=CC=C1NC(=NC(=O)OCC)S)S", "rdfs:seeAlso": { "@id": "compound:31991" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)", "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "skos:notation": "tofnC2y", "dbo:iupacName": { "@language": "en", "@value": "ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate" }, "dbp:inchikey": "YFNCATAIYKQPOO-UHFFFAOYSA-N" }, { "@id": "csc:OGVXWEOZQMAAIM-UHFFFAOYSA-N", "dbp:inchikey": "OGVXWEOZQMAAIM-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "12484", "@type": "xsd:int" }, "dbo:casNumber": "636-21-5", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=CC=CC=C1N.Cl", "skos:broader": { "@id": "csc:CHEMONTID_0003964" }, "dbo:formula": "C7H10ClN", "dbo:inchi": "InChI=1S/C7H9N.ClH/c1-6-4-2-3-5-7(6)8;/h2-5H,8H2,1H3;1H", "dbo:iupacName": { "@language": "en", "@value": "2-METHYLANILINE HYDROCHLORIDE" }, "skos:notation": "otolidnHCl", "skos:prefLabel": { "@language": "nl", "@value": "o-toluidine hydrochloride" }, "rdfs:seeAlso": { "@id": "compound:12484" } }, { "@id": "csc:KNLLPAOBVIKLDE-UHFFFAOYSA-N", "dbo:smiles": "COC1=CC=C(C=C1)C(C2=CC=CC=C2OC)C(Cl)(Cl)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "30667-99-3", "rdfs:seeAlso": { "@id": "compound:35405" }, "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "dbo:pubchem": { "@value": "35405", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-methoxy-2-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene" }, "skos:notation": "24C1oxCl", "dbo:inchi": "InChI=1S/C16H15Cl3O2/c1-20-12-9-7-11(8-10-12)15(16(17,18)19)13-5-3-4-6-14(13)21-2/h3-10,15H,1-2H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4'-methoxychloor" }, "dbo:formula": "C16H15Cl3O2", "dbp:inchikey": "KNLLPAOBVIKLDE-UHFFFAOYSA-N" }, { "@id": "csc:VPHHJAOJUJHJKD-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "34DClBencbzr", "dbo:casNumber": "51-44-5", "dbo:inchi": "InChI=1S/C7H4Cl2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)", "rdfs:seeAlso": { "@id": "compound:5817" }, "skos:prefLabel": { "@language": "nl", "@value": "3,4-dichloorbenzeencarbonzuur" }, "dbo:iupacName": { "@language": "en", "@value": "3,4-Dichlorobenzoic acid" }, "dbo:pubchem": { "@value": "5817", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002611" }, "dbo:smiles": "C1=CC(=C(C=C1C(=O)O)Cl)Cl", "dbp:inchikey": "VPHHJAOJUJHJKD-UHFFFAOYSA-N", "dbo:formula": "C7H4Cl2O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:PTCGDEVVHUXTMP-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "47898", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004713" }, "dbo:casNumber": [ "84461-35-8", "66332-96-5" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "flutlnl", "skos:prefLabel": { "@language": "nl", "@value": "flutolanil" }, "dbo:formula": "C17H16F3NO2", "dbo:iupacName": { "@language": "en", "@value": "N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide" }, "dbo:inchi": "InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)", "rdfs:seeAlso": { "@id": "compound:47898" }, "dbp:inchikey": "PTCGDEVVHUXTMP-UHFFFAOYSA-N", "dbo:smiles": "CC(C)OC1=CC=CC(=C1)NC(=O)C2=CC=CC=C2C(F)(F)F" }, { "@id": "csc:ZJIJAJXFLBMLCK-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:casNumber": "355-42-0", "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane" }, "skos:definition": { "@language": "nl", "@value": "Tetradecafluorhexaan is lineair hexaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een hexaan." }, "rdfs:seeAlso": { "@id": "compound:9639" }, "skos:notation": "C6F14", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbp:inchikey": "ZJIJAJXFLBMLCK-UHFFFAOYSA-N ", "skos:prefLabel": { "@language": "nl", "@value": "tetradecafluorhexaan" }, "skos:altLabel": { "@language": "nl", "@value": "perfluorhexaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F", "dbo:pubchem": { "@value": "9639", "@type": "xsd:int" }, "dbo:formula": "C6F14", "dbo:inchi": "InChI=1S/C6F14/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20" }, { "@id": "csc:FNPXMHRZILFCKX-UHFFFAOYSA-N", "dbo:formula": "C27H36O8", "dbo:smiles": "CCC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)OC(=O)OCC", "skos:prefLabel": { "@language": "nl", "@value": "prednicarbaat" }, "skos:notation": "predncbt", "dbo:casNumber": "73771-04-7", "skos:broader": { "@id": "csc:CHEMONTID_0001468" }, "dbo:inchi": "InChI=1S/C27H36O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h9,11,13,18-20,23,29H,5-8,10,12,14-15H2,1-4H3", "dbo:iupacName": { "@language": "en", "@value": "[2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:52421" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "FNPXMHRZILFCKX-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "52421", "@type": "xsd:int" } }, { "@id": "csc:IMRYETFJNLKUHK-UHFFFAOYSA-N", "skos:notation": "ATTI", "dbo:inchi": "InChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C", "dbo:iupacName": { "@language": "en", "@value": "1-(1,1,2,6-tetramethyl-3-propan-2-yl-2,3-dihydroinden-5-yl)ethanone" }, "dbo:formula": "C18H26O", "dbo:casNumber": "68140-48-7", "skos:prefLabel": { "@language": "nl", "@value": "traseolide" }, "dbp:inchikey": "IMRYETFJNLKUHK-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:91696" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000027" }, "dbo:pubchem": { "@value": "91696", "@type": "xsd:int" } }, { "@id": "csc:SIXSYDAISGFNSX-UHFFFAOYSA-N", "dbo:smiles": "[Sc]", "skos:prefLabel": { "@language": "nl", "@value": "scandium" }, "skos:notation": "Sc", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/Sc", "dbo:casNumber": [ "195161-76-3", "14391-83-4", "7440-20-2" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:23952" }, "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:pubchem": { "@value": "23952", "@type": "xsd:int" }, 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"skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3", "dbo:inchi": "InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3", "dbo:formula": "C26H23F2NO4", "dbp:inchikey": "GBIHOLCMZGAKNG-UHFFFAOYSA-N" }, { "@id": "csc:DAASOABUJRMZAD-UHFFFAOYSA-N", "dbp:inchikey": "DAASOABUJRMZAD-UHFFFAOYSA-N", "dbo:formula": "C8H5BrCl6", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "bromocyclen" }, "rdfs:seeAlso": { "@id": "compound:15583" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "6-(bromomethyl)-1,2,3,4,7,7-hexachlorobicyclo[2.2.1]hept-2-ene" }, "dbo:pubchem": { "@value": "15583", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C8H5BrCl6/c9-2-3-1-6(12)4(10)5(11)7(3,13)8(6,14)15/h3H,1-2H2", "dbo:casNumber": "1715-40-8", "dbo:smiles": "C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CBr", "skos:broader": { "@id": "csc:CHEMONTID_0002863" }, "skos:notation": "Brccn" }, { "@id": "csc:XERJKGMBORTKEO-VZUCSPMQSA-N", "dbo:iupacName": { "@language": "en", "@value": "2-(ethylcarbamoylamino)-N-methoxy-2-oxoethanimidoyl cyanide" }, "skos:notation": "cymOanl", "skos:prefLabel": { "@language": "nl", "@value": "cymoxanil" }, "dbo:pubchem": { "@value": "5364079", "@type": "xsd:int" }, "dbo:smiles": "CCNC(=O)NC(=O)C(=NOC)C#N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbp:inchikey": "XERJKGMBORTKEO-VZUCSPMQSA-N", "dbo:casNumber": [ "57966-95-7", "93195-85-8" ], "dbo:inchi": "InChI=1S/C7H10N4O3/c1-3-9-7(13)10-6(12)5(4-8)11-14-2/h3H2,1-2H3,(H2,9,10,12,13)/b11-5+", "skos:broader": { "@id": "csc:CHEMONTID_0001010" }, "dbo:formula": "C7H10N4O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:5364079" } }, { "@id": "csc:FAQYAMRNWDIXMY-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/BCl3/c2-1(3)4", "rdfs:seeAlso": { "@id": "compound:25135" }, "dbo:pubchem": { "@value": "25135", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000583" }, "dbo:casNumber": [ "37226-51-0", "10294-34-5", "31012-04-1" ], "dbo:iupacName": { "@language": "en", "@value": "Trichloroborane" }, "dbo:smiles": "B(Cl)(Cl)Cl", "dbo:formula": "BCl3", "skos:notation": "BTCl", "skos:prefLabel": { "@language": "nl", "@value": "boortrichloride" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "FAQYAMRNWDIXMY-UHFFFAOYSA-N" }, { "@id": "csc:NYOKZHDTNBDPOB-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C(=C1)OC(=O)NC)C)C", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "NYOKZHDTNBDPOB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "landrin" }, "dbo:formula": "C11H15NO2", "dbo:casNumber": [ "58784-13-7", "2655-15-4", "12407-86-2" ], "dbo:iupacName": { "@language": "en", "@value": "(2,3,5-trimethylphenyl) N-methylcarbamate" }, "skos:notation": [ "landn", "235Tmtcb" ], "dbo:inchi": "InChI=1S/C11H15NO2/c1-7-5-8(2)9(3)10(6-7)14-11(13)12-4/h5-6H,1-4H3,(H,12,13)", "skos:altLabel": { "@language": "nl", "@value": "2,3,5-trimethacarb" }, "rdfs:seeAlso": { "@id": "compound:25550" }, "skos:broader": { "@id": "csc:CHEMONTID_0004640" }, "dbo:pubchem": { "@value": "25550", "@type": "xsd:int" } }, { "@id": "csc:MLUCVPSAIODCQM-NSCUHMNNSA-N", "skos:notation": [ "crotAh", "c2C4eal" ], "skos:altLabel": { "@language": "nl", "@value": "trans-2-butenal" }, "rdfs:seeAlso": { "@id": "compound:447466" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC=CC=O", "skos:prefLabel": { "@language": "nl", "@value": "cis-2-butenal" }, "dbo:iupacName": { "@language": "en", "@value": "(E)-but-2-enal" }, "dbo:pubchem": { "@value": "447466", "@type": "xsd:int" }, "dbo:casNumber": [ "123-73-9", "15798-64-8" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MLUCVPSAIODCQM-NSCUHMNNSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002436" }, "dbo:formula": "C4H6O", "dbo:inchi": "InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+" }, { "@id": "csc:QZHDEAJFRJCDMF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "perfluorhexaansulfonzuur (pfhxs)" }, "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonic acid" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "355-46-4", "skos:altLabel": [ { "@language": "nl", "@value": "perfluorhexaansulfonzuur" }, { "@language": "nl", "@value": "perfluor-n-hexaansulfonzuur" }, { "@language": "nl", "@value": "perfluor-n-hexaansulfonzuur (pfhxs)" } ], "skos:notation": [ "PFHxS", "L_PFHxS" ], "dbo:inchi": "InChI=1S/C6HF13O3S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22/h(H,20,21,22)", "dbo:smiles": "C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F", "rdfs:seeAlso": { "@id": "compound:67734" }, "dbo:pubchem": { "@value": "67734", "@type": "xsd:int" }, "dbo:formula": "C6HF13O3S", "dbp:inchikey": "QZHDEAJFRJCDMF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0003961" } }, { "@id": "csc:ZLCUIOWQYBYEBG-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C15H11NO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,16H2,1H3", "dbp:inchikey": "ZLCUIOWQYBYEBG-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-amino-2-methylanthracene-9,10-dione" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:6702" }, "dbo:smiles": "CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N", "skos:broader": { "@id": "csc:CHEMONTID_0000151" }, "dbo:formula": "C15H11NO2", "skos:prefLabel": { "@language": "nl", "@value": "1-amino-2-methylanthraquinon" }, "dbo:pubchem": { "@value": "6702", "@type": "xsd:int" }, "skos:notation": "1Ao2C1yatqnn", "dbo:casNumber": "82-28-0" }, { "@id": "csc:OSCXYTRISGREIM-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C3H5ClO/c1-3(4)2-5/h5H,1-2H2", "skos:notation": "2Cl2C3eol", "dbo:smiles": "C=C(CO)Cl", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:formula": "C3H5ClO", "dbo:pubchem": { "@value": "80076", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:80076" }, "dbp:inchikey": "OSCXYTRISGREIM-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2-chloor-2-propeen-ol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002608" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "5976-47-6", "dbo:iupacName": { "@language": "en", "@value": "2-chloroprop-2-en-1-ol" } }, { "@id": "csc:HPHUVLMMVZITSG-ZCFIWIBFSA-N", "dbo:pubchem": { "@value": "441341", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000060" }, "dbo:inchi": "InChI=1S/C8H14N2O2/c1-2-6(8(9)12)10-5-3-4-7(10)11/h6H,2-5H2,1H3,(H2,9,12)/t6-/m1/s1", "rdfs:seeAlso": { "@id": "compound:441341" }, "dbo:smiles": "CCC(C(=O)N)N1CCCC1=O", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:formula": "C8H14N2O2", "dbp:inchikey": "HPHUVLMMVZITSG-ZCFIWIBFSA-N", "dbo:iupacName": { "@language": "en", "@value": "(2R)-2-(2-oxopyrrolidin-1-yl)butanamide" }, "dbo:casNumber": "102767-28-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "levtrctm", "skos:prefLabel": { "@language": "nl", "@value": "levetiracetam" } }, { "@id": "csc:VNENJHUOPQAPAT-UHFFFAOYSA-N", "dbp:inchikey": "VNENJHUOPQAPAT-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "108227", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0000294" }, "dbo:smiles": "C1=CC2=C(C=C1O)NC(=N2)C3=CSC=N3", "dbo:casNumber": "948-71-0", "skos:notation": "5HOxtabdzle", "dbo:formula": "C10H7N3OS", "dbo:iupacName": { "@language": "en", "@value": "2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol" }, "rdfs:seeAlso": { "@id": "compound:108227" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "5-hydroxythiabendazole" }, "dbo:inchi": "InChI=1S/C10H7N3OS/c14-6-1-2-7-8(3-6)13-10(12-7)9-4-15-5-11-9/h1-5,14H,(H,12,13)" }, { "@id": "csc:NJVOZLGKTAPUTQ-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/3C6H5.Cl.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;;", "dbo:iupacName": { "@language": "en", "@value": "chloro-tri(phenyl)stannane" }, "dbo:smiles": "0", "dbo:formula": "0", "skos:prefLabel": { "@language": "nl", "@value": "trifenyltinchloride" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002279" }, "dbo:casNumber": "639-58-7", "dbp:inchikey": "NJVOZLGKTAPUTQ-UHFFFAOYSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:KAVGMUDTWQVPDF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "skos:altLabel": { "@language": "nl", "@value": "perfluorbutaan" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "C4F10", "dbo:casNumber": "355-25-9", "dbo:inchi": "InChI=1S/C4F10/c5-1(6,3(9,10)11)2(7,8)4(12,13)14", "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,3,3,4,4,4-decafluorobutane" }, "dbo:smiles": "C(C(C(F)(F)F)(F)F)(C(F)(F)F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "decafluorbutaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "KAVGMUDTWQVPDF-UHFFFAOYSA-N", "dbo:formula": "C4F10", "dbo:pubchem": { "@value": "9638", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:9638" }, "skos:definition": { "@language": "nl", "@value": "Decafluorbutaan is butaan waarin alle waterstofatomen zijn vervangen door fluorverbindingen. Het is een fluorkoolstof en een fluoralkaan. Het is afgeleid van een hydride van een butaan." } }, { "@id": "csc:RZVHIXYEVGDQDX-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "anthracene-9,10-dione" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6780", "@type": "xsd:int" }, "dbo:casNumber": [ "84-65-1", "790240-52-7" ], "dbp:inchikey": "RZVHIXYEVGDQDX-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000151" }, "dbo:inchi": "InChI=1S/C14H8O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8H", "dbo:formula": "C14H8O2", "dbo:smiles": "C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2=O", "skos:prefLabel": { "@language": "nl", "@value": "antrachinon" }, "rdfs:seeAlso": { "@id": "compound:6780" }, "skos:notation": "antcnn" }, { "@id": "csc:GGNLTHFTYNDYNK-UHFFFAOYSA-N", "dbp:inchikey": "GGNLTHFTYNDYNK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "fenkapton" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidenephosphorane" }, "dbo:smiles": "CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "febktn", "rdfs:seeAlso": { "@id": "compound:16773" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:inchi": "InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3", "dbo:pubchem": { "@value": "16773", "@type": "xsd:int" }, "dbo:casNumber": "2275-14-1", "dbo:formula": "C11H15Cl2O2PS3" }, { "@id": "csc:XNYGOEGATLFFOX-UHFFFAOYSA-N", "dbo:formula": "C13H16O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:31341" }, "dbp:inchikey": "XNYGOEGATLFFOX-UHFFFAOYSA-N", "dbo:smiles": "C1C=CCC2C1C3CC=CCC3(O2)C=O", "skos:broader": { "@id": "csc:CHEMONTID_0002648" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde" }, "dbo:pubchem": { "@value": "31341", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C13H16O2/c14-9-13-8-4-3-6-11(13)10-5-1-2-7-12(10)15-13/h1-4,9-12H,5-8H2", "dbo:casNumber": "126-15-8", "skos:prefLabel": { "@language": "nl", "@value": "bis(butyleen)tetrahydrofuraldehyde" }, "skos:notation": "bisC4yeT4HfA" }, { "@id": "csc:RCFAHSGZAAFQJH-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:casNumber": [ "25640-70-4", "2769-94-0" ], "skos:broader": { "@id": "csc:CHEMONTID_0002651" }, "rdfs:seeAlso": { "@id": "compound:102877" }, "dbo:inchi": "InChI=1S/C22H22O/c1-16(18-9-5-3-6-10-18)20-13-14-22(23)21(15-20)17(2)19-11-7-4-8-12-19/h3-17,23H,1-2H3", "dbp:inchikey": "RCFAHSGZAAFQJH-UHFFFAOYSA-N", "dbo:smiles": "CC(C1=CC=CC=C1)C2=CC(=C(C=C2)O)C(C)C3=CC=CC=C3", "skos:notation": "24bis1FyC2yF", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C22H22O", "skos:prefLabel": { "@language": "nl", "@value": "2,4-bis(1-fenylethyl)fenol" }, "dbo:pubchem": { "@value": "102877", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-Bis(1-phenylethyl)phenol" } }, { "@id": "csc:OWRCNXZUPFZXOS-UHFFFAOYSA-N", "skos:notation": "13DFygandne", "dbo:iupacName": { "@language": "en", "@value": "1,2-di(phenyl)guanidine" }, "dbp:inchikey": "OWRCNXZUPFZXOS-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)", "skos:prefLabel": { "@language": "nl", "@value": "1,3-difenylguanidine" }, "dbo:casNumber": [ "33505-70-3", "25323-69-7", "102-06-7", "55556-10-0", "39291-21-9" ], "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "7594", "@type": "xsd:int" }, "dbo:smiles": "C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)N", "dbo:formula": "C13H13N3", "rdfs:seeAlso": { 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"perfluor-n-decaansulfonzuur (pfds)" }, { "@language": "nl", "@value": "perfluordecaansulfonzuur (pfds)" } ], "dbo:inchi": "InChI=1S/C10HF21O3S/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)35(32,33)34/h(H,32,33,34)", "dbo:iupacName": { "@language": "en", "@value": "1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonic acid" }, "dbo:pubchem": { "@value": "67636", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0003961" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "perfluor-n-decaansulfonzuur" }, "dbo:smiles": "C(C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F", "skos:notation": [ "PFDS", "L_PFDS" ] }, { "@id": "csc:ZNPSUQQXTRRSBM-UHFFFAOYSA-N", "dbo:casNumber": [ "14938-35-3", "65916-15-6" ], "rdfs:seeAlso": { "@id": "compound:26975" }, 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"dbo:formula": "C21H21O4P", "skos:broader": { "@id": "csc:CHEMONTID_0004619" }, "dbo:smiles": "CC1=CC=C(C=C1)OP(=O)(OC2=CC=C(C=C2)C)OC3=CC=C(C=C3)C", "skos:altLabel": { "@language": "nl", "@value": "tri-p-cresylfosfaat" }, "dbo:casNumber": [ "78-32-0", "1330-78-5" ], "dbo:inchi": "InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3", "dbp:inchikey": "BOSMZFBHAYFUBJ-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:HEWZVZIVELJPQZ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:formula": "C5H12O2", "dbo:inchi": "InChI=1S/C5H12O2/c1-5(2,6-3)7-4/h1-4H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "77-76-9", "dbo:pubchem": { "@value": "6495", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "2,2-Dimethoxypropane" }, "skos:broader": { "@id": "csc:CHEMONTID_0004472" }, "rdfs:seeAlso": { "@id": "compound:6495" }, "skos:notation": "22DC1oxC3a", "dbp:inchikey": "HEWZVZIVELJPQZ-UHFFFAOYSA-N", "dbo:smiles": "CC(C)(OC)OC", "skos:prefLabel": { "@language": "nl", "@value": "2,2-dimethoxypropaan" } }, { "@id": "csc:VWGNQYSIWFHEQU-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "oxychlordaan" }, "rdfs:seeAlso": { "@id": "compound:33772" }, "dbo:inchi": "InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "OxCldn", "dbo:pubchem": { "@value": "33772", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0002012" }, "skos:prefLabel": { "@language": "nl", "@value": "oxychloordaan" }, "dbo:formula": "C10H4Cl8O", "dbo:casNumber": [ "27304-13-8", "26880-48-8" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C12C(C(C3(C1O3)Cl)Cl)C4(C(=C(C2(C4(Cl)Cl)Cl)Cl)Cl)Cl", "dbo:iupacName": { "@language": "en", "@value": "1,5,6,8,9,10,11,11-octachloro-4-oxatetracyclo[6.2.1.02,7.03,5]undec-9-ene" }, "dbp:inchikey": "VWGNQYSIWFHEQU-UHFFFAOYSA-N" }, { "@id": "csc:HAWPXGHAZFHHAD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4033", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "mustine" }, "rdfs:seeAlso": { "@id": "compound:4033" }, "dbp:inchikey": "HAWPXGHAZFHHAD-UHFFFAOYSA-N", "skos:notation": "mustne", "dbo:iupacName": { "@language": "en", "@value": "2-Chloro-N-(2-chloroethyl)-N-methylethanamine" }, "dbo:casNumber": "51-75-2", "dbo:formula": "C5H11Cl2N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000398" }, "dbo:inchi": "InChI=1S/C5H11Cl2N/c1-8(4-2-6)5-3-7/h2-5H2,1H3", "dbo:smiles": "CN(CCCl)CCCl" }, { "@id": "csc:UMFJAHHVKNCGLG-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CN(C)N=O", "dbo:iupacName": { "@language": "en", "@value": "N,N-dimethylnitrous amide" }, "rdfs:seeAlso": { "@id": "compound:6124" }, "dbo:formula": "C2H6N2O", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "DC1yNOAe", "dbo:casNumber": "62-75-9", "dbo:inchi": "InChI=1S/C2H6N2O/c1-4(2)3-5/h1-2H3", "dbp:inchikey": "UMFJAHHVKNCGLG-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6124", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0004777" }, "skos:prefLabel": { "@language": "nl", "@value": "dimethylnitrosamine" } }, { "@id": "csc:ADAKRBAJFHTIEW-UHFFFAOYSA-N", "dbo:casNumber": "104-12-1", "skos:notation": "pClFyiCN", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H4ClNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H", "dbo:smiles": "C1=CC(=CC=C1N=C=O)Cl", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "ADAKRBAJFHTIEW-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:7693" }, "dbo:formula": "C7H4ClNO", "dbo:iupacName": { "@language": "en", "@value": "1-Chloro-4-isocyanatobenzene" }, "skos:prefLabel": { "@language": "nl", "@value": "p-chloorfenylisocyanaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001099" }, "dbo:pubchem": { "@value": "7693", "@type": "xsd:int" } }, { "@id": "csc:XGXUGXPKRBQINS-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0000138" }, "skos:notation": "24DBransl", "rdfs:seeAlso": { "@id": "compound:27011" }, "dbo:formula": "C7H6Br2O", "dbp:inchikey": "XGXUGXPKRBQINS-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "2,4-dibroomanisol" }, "dbo:iupacName": { "@language": "en", "@value": "2,4-dibromo-1-methoxybenzene" }, "dbo:casNumber": "21702-84-1", "dbo:smiles": "COC1=C(C=C(C=C1)Br)Br", "dbo:pubchem": { "@value": "27011", "@type": "xsd:int" } }, { "@id": "csc:YNJBWRMUSHSURL-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003000" }, "dbo:formula": "C2HCl3O2", "rdfs:seeAlso": { "@id": "compound:6421" }, "dbp:inchikey": "YNJBWRMUSHSURL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "2,2,2-trichloroacetic acid" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "6421", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "trichloorazijnzuur" }, "dbo:casNumber": "76-03-9", "dbo:smiles": "C(=O)(C(Cl)(Cl)Cl)O", "skos:notation": "TClHAc", "dbo:inchi": "InChI=1S/C2HCl3O2/c3-2(4,5)1(6)7/h(H,6,7)" }, { "@id": "csc:MTLMVEWEYZFYTH-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "PCB30", "dbo:casNumber": "35693-92-6", "dbo:pubchem": { "@value": "37247", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "2,4,6-trichloorbifenyl" }, "dbo:formula": "C12H7Cl3", "dbo:iupacName": { "@language": "en", "@value": "1,3,5-trichloro-2-phenylbenzene" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "MTLMVEWEYZFYTH-UHFFFAOYSA-N", "dbo:smiles": "C1=CC=C(C=C1)C2=C(C=C(C=C2Cl)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:37247" }, "skos:broader": { "@id": "csc:CHEMONTID_0003030" }, "dbo:inchi": "InChI=1S/C12H7Cl3/c13-9-6-10(14)12(11(15)7-9)8-4-2-1-3-5-8/h1-7H" }, { "@id": "csc:DUZVBQWEFKXWJM-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "haloxyfop" }, "dbo:formula": "C15H10ClF3NNaO4", "skos:notation": "halOxfp", "dbo:smiles": "CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl.[Na+]", "dbo:inchi": "InChI=1S/C15H11ClF3NO4.Na/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19;/h2-8H,1H3,(H,21,22);/q;+1/p-1", "dbo:pubchem": { "@value": "3053343", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0004674" }, "dbo:casNumber": [ "69806-86-6", "69806-34-4" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "DUZVBQWEFKXWJM-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "sodium 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "rdfs:seeAlso": { "@id": "compound:3053343" } }, { "@id": "csc:KEAYESYHFKHZAL-BJUDXGSMSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:6328543" }, "skos:notation": "Na22", "dbo:casNumber": "13966-32-0", "dbo:formula": "Na", "dbo:inchi": "InChI=1S/Na/i1-1", "dbp:inchikey": "KEAYESYHFKHZAL-BJUDXGSMSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000425" }, "dbo:pubchem": { "@value": "6328543", "@type": "xsd:int" }, "dbo:smiles": "[Na]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "natrium 22" }, "dbo:iupacName": { "@language": "en", "@value": "sodium-22" } }, { "@id": "csc:OJYGBLRPYBAHRT-OPKHMCHVSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001540" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2?,3-,4+,5+,6?,7+/m0/s1", "dbo:iupacName": { "@language": "en", "@value": "1-[(2R,5R,6S,6aR)-6-hydroxy-2-(trichloromethyl)-3a,5,6,6a-tetrahydrofuro[4,5-d][1,3]dioxol-5-yl]ethane-1,2-diol" }, "dbp:inchikey": "OJYGBLRPYBAHRT-OPKHMCHVSA-N", "dbo:casNumber": "15879-93-3", "skos:notation": "chlorlse", "skos:prefLabel": { "@language": "nl", "@value": "chloralose" }, "dbo:pubchem": { "@value": "27525", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:27525" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(C(C1C(C2C(O1)OC(O2)C(Cl)(Cl)Cl)O)O)O", "dbo:formula": "C8H11Cl3O6" }, { "@id": "csc:OPASCBHCTNRLRM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCSCCSP(=S)(OC)OC", "skos:broader": { "@id": "csc:CHEMONTID_0004164" }, "dbo:inchi": "InChI=1S/C6H15O2PS3/c1-4-11-5-6-12-9(10,7-2)8-3/h4-6H2,1-3H3", "skos:notation": "tomtn", "dbo:pubchem": { "@value": "12541", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:12541" }, "dbo:formula": "C6H15O2PS3", "dbo:casNumber": "640-15-3", "skos:prefLabel": { "@language": "nl", "@value": "thiometon" }, "dbo:iupacName": { "@language": "en", "@value": "2-ethylsulfanylethylsulfanyl-dimethoxy-sulfanylidenephosphorane" }, "dbp:inchikey": "OPASCBHCTNRLRM-UHFFFAOYSA-N" }, { "@id": "csc:YERASKROMPMIBM-UHFFFAOYSA-N", "dbo:casNumber": "111512-56-2", "skos:prefLabel": { "@language": "nl", "@value": "1,1-dichloor-1,2,3,3,3-pentafluorpropaan" }, "rdfs:seeAlso": { "@id": "compound:62310" }, "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "dbo:inchi": "InChI=1S/C3HCl2F5/c4-2(5,7)1(6)3(8,9)10/h1H", "dbp:inchikey": "YERASKROMPMIBM-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "1,1-DICHLORO-1,2,3,3,3-PENTAFLUOROPROPANE" }, "skos:notation": "HCFK225eb", "dbo:pubchem": { "@value": "62310", "@type": "xsd:int" }, "dbo:formula": "C3HCl2F5", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:smiles": "C(C(F)(F)F)(C(F)(Cl)Cl)F" }, { "@id": "csc:BERQWQSQOIEUMA-UHFFFAOYSA-M", "dbo:casNumber": "19437-42-4", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C10H7NaO9S3", "dbo:pubchem": { "@value": "88066", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "sodium 3,6-disulfonaphthalene-1-sulfonate" }, "rdfs:seeAlso": { "@id": "compound:88066" }, "dbp:inchikey": "BERQWQSQOIEUMA-UHFFFAOYSA-M", "skos:broader": { "@id": "csc:CHEMONTID_0003601" }, "dbo:smiles": "C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)[O-].[Na+]", "skos:prefLabel": { "@language": "nl", "@value": "naftaleen-1,3,6-trisulfonaat,natriumzout" }, "skos:notation": "Naf136TsfntN", "dbo:inchi": "InChI=1S/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1" }, { "@id": "csc:QIGBRXMKCJKVMJ-UHFFFAOYSA-N", "dbo:casNumber": [ "8027-02-9", "57534-13-1", "123-31-9" ], "dbo:pubchem": { "@value": "785", "@type": "xsd:int" }, "dbo:formula": "C6H6O2", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC(=CC=C1O)O", "dbo:iupacName": { "@language": "en", "@value": "Benzene-1,4-diol" }, "dbp:inchikey": "QIGBRXMKCJKVMJ-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "1,4-dihydroxybenzeen" }, "skos:notation": "14DHOxBen", "dbo:inchi": "InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H", "rdfs:seeAlso": { "@id": "compound:785" }, "skos:broader": { "@id": "csc:CHEMONTID_0000136" } }, { "@id": "csc:LWHQXUODFPPQTL-UHFFFAOYSA-M", "dbo:casNumber": "335-95-5", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)[O-].[Na+]", "skos:notation": "PFOA_Na", "skos:prefLabel": { "@language": "nl", "@value": "perfluoroctaanzuur, natriumzout" }, "dbp:inchikey": "LWHQXUODFPPQTL-UHFFFAOYSA-M", "dbo:iupacName": { "@language": "en", "@value": "sodium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate" }, "rdfs:seeAlso": { "@id": "compound:67637" }, "dbo:formula": "C8F15NaO2", "dbo:pubchem": { "@value": "67637", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0003962" } }, { "@id": "csc:UUSQFLGKGQEVCM-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "benzoxoniumchloride" }, "dbo:casNumber": "19379-90-9", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride" }, "skos:notation": "benzxnuCl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:29563" }, "dbo:inchi": "InChI=1S/C23H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23;/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3;1H/q+1;/p-1", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "29563", "@type": "xsd:int" }, "dbo:formula": "C23H42ClNO2", "skos:broader": { "@id": "csc:CHEMONTID_0000185" }, "dbo:smiles": "CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1.[Cl-]", "dbp:inchikey": "UUSQFLGKGQEVCM-UHFFFAOYSA-M" }, { "@id": "csc:OORLZFUTLGXMEF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003314" }, "dbp:inchikey": "OORLZFUTLGXMEF-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "sulfentrazon" }, "dbo:inchi": "InChI=1S/C11H10Cl2F2N4O3S/c1-5-16-19(11(20)18(5)10(14)15)9-4-8(17-23(2,21)22)6(12)3-7(9)13/h3-4,10,17H,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "86369", "@type": "xsd:int" }, "skos:notation": "sulfntzn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl", "rdfs:seeAlso": { "@id": "compound:86369" }, "dbo:casNumber": [ "122836-35-5", "111991-58-3" ], "dbo:formula": "C11H10Cl2F2N4O3S" }, { "@id": "csc:ZDYYWMSLMLTXDM-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) hydrogen phosphate" }, "skos:prefLabel": { "@language": "nl", "@value": "6:2 fluortelomeerfosfaat diester" }, "dbo:smiles": "C(COP(=O)(O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F", "dbo:inchi": "InChI=1S/C16H9F26O4P/c17-5(18,7(21,22)9(25,26)11(29,30)13(33,34)15(37,38)39)1-3-45-47(43,44)46-4-2-6(19,20)8(23,24)10(27,28)12(31,32)14(35,36)16(40,41)42/h1-4H2,(H,43,44)", "dbp:inchikey": "ZDYYWMSLMLTXDM-UHFFFAOYSA-N", "dbo:casNumber": "57677-95-9", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:14550408" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0003459" }, "skos:notation": "6:2 diPAP", "dbo:formula": "C16H9F26O4P", "dbo:pubchem": { "@value": "14550408", "@type": "xsd:int" } }, { "@id": "csc:JANBFCARANRIKJ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "bis(3-methylbutyl) benzene-1,2-dicarboxylate" }, "skos:prefLabel": { "@language": "nl", "@value": "di-isopentylftalaat" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "69059", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:casNumber": "605-50-5", "dbp:inchikey": "JANBFCARANRIKJ-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3", "rdfs:seeAlso": { "@id": "compound:69059" }, "dbo:formula": "C18H26O4" }, { "@id": "csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "50897", "@type": "xsd:int" }, "skos:notation": "fluazfC4y", "dbo:formula": "C19H20F3NO4", "dbo:iupacName": { "@language": "en", "@value": "butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "skos:prefLabel": { "@language": "nl", "@value": "fluazifop-butyl" }, "dbo:smiles": "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F", "dbo:casNumber": [ "86334-14-7", "69806-50-4" ], "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3", "dbp:inchikey": "VAIZTNZGPYBOGF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:50897" } }, { "@id": "csc:RECUKUPTGUEGMW-UHFFFAOYSA-N", "dbp:inchikey": "RECUKUPTGUEGMW-UHFFFAOYSA-N", "skos:notation": "5iC3y2C1yFol", "dbo:formula": "C10H14O", "dbo:pubchem": { "@value": "10364", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "CC1=C(C=C(C=C1)C(C)C)O", "dbo:iupacName": { "@language": "en", "@value": "2-methyl-5-propan-2-ylphenol" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": "499-75-2", "skos:broader": { "@id": "csc:CHEMONTID_0000051" }, "rdfs:seeAlso": { "@id": "compound:10364" }, "skos:prefLabel": { "@language": "nl", "@value": "5-isopropyl-2-methylfenol" } }, { "@id": "csc:FWWQKRXKHIRPJY-UHFFFAOYSA-N", "dbp:inchikey": "FWWQKRXKHIRPJY-UHFFFAOYSA-N", "dbo:casNumber": "638-66-4", "skos:notation": "C18al", "skos:prefLabel": { "@language": "nl", "@value": "octadecanal" }, "rdfs:seeAlso": { "@id": "compound:12533" }, "dbo:formula": "C18H36O", "dbo:smiles": "CCCCCCCCCCCCCCCCCC=O", "dbo:pubchem": { "@value": "12533", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "Octadecanal" }, "skos:broader": { "@id": "csc:CHEMONTID_0000298" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ] }, { "@id": "csc:HZHFFEYYPYZMNU-UHFFFAOYSA-K", "skos:notation": "gaddamde", "dbp:inchikey": "HZHFFEYYPYZMNU-UHFFFAOYSA-K", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]", "skos:prefLabel": { "@language": "nl", "@value": "gadodiamide" }, "rdfs:seeAlso": { "@id": "compound:153921" }, "dbo:pubchem": { "@value": "153921", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "2-[bis[2-[(2-methylamino-2-oxoethyl)-(2-oxido-2-oxoethyl)amino]ethyl]amino]acetate; gadolinium(+3) cation" }, "dbo:inchi": "InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3", "dbo:casNumber": "131410-48-5", "dbo:formula": "C16H26GdN5O8", "skos:broader": { "@id": "csc:CHEMONTID_0002309" } }, { "@id": "csc:HEMJJKBWTPKOJG-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3463" }, "dbo:inchi": "InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)", "skos:notation": "gemfbzl", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "dbo:formula": "C15H22O3", "dbo:iupacName": { "@language": "en", "@value": "5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid" }, "dbo:pubchem": { "@value": "3463", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "gemfibrozil" }, "dbo:casNumber": "25812-30-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "HEMJJKBWTPKOJG-UHFFFAOYSA-N", "dbo:smiles": "CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O" }, { "@id": "csc:FDIPWBUDOCPIMH-UHFFFAOYSA-N", "dbo:casNumber": "27157-66-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "FDIPWBUDOCPIMH-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:3032831" }, "dbo:smiles": "CCCCCCCCCCC1=CC=CC=C1O", "skos:prefLabel": { "@language": "nl", "@value": "decylfenol" }, "dbo:iupacName": { "@language": "en", "@value": "2-decylphenol" }, "skos:broader": { "@id": "csc:CHEMONTID_0004647" }, "dbo:pubchem": { "@value": "3032831", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)17/h10-11,13-14,17H,2-9,12H2,1H3", "dbo:formula": "C16H26O" }, { "@id": "csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N", "dbo:smiles": "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O", "rdfs:seeAlso": { "@id": "compound:294" }, "skos:prefLabel": { "@language": "nl", "@value": "lactose" }, "dbo:casNumber": [ "528-50-7", "16462-44-5", "69-79-4", "63-42-3", "13360-52-6" ], "dbo:pubchem": { "@value": "294", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "lactse", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:formula": "C12H22O11", "dbo:inchi": "InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2", "dbo:iupacName": { "@language": "en", "@value": "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol" }, "skos:broader": { "@id": "csc:CHEMONTID_0002207" }, "dbp:inchikey": "GUBGYTABKSRVRQ-UHFFFAOYSA-N" }, { "@id": "csc:CUONGYYJJVDODC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000362" }, "dbo:pubchem": { "@value": "8010", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:8010" }, "dbo:iupacName": { "@language": "en", "@value": "Propanedinitrile" }, "dbo:inchi": "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "malnntl", "dbo:formula": "C3H2N2", "skos:prefLabel": { "@language": "nl", "@value": "malononitril" }, "dbo:smiles": "C(C#N)C#N", "dbo:casNumber": [ "144804-99-9", "109-77-3" ], "dbp:inchikey": "CUONGYYJJVDODC-UHFFFAOYSA-N" }, { "@id": "csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "24340", "@type": "xsd:int" }, "skos:notation": "NaOCl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": [ "56172-57-7", "8007-59-8", "227453-69-2", "7681-52-9" ], "skos:broader": { "@id": "csc:CHEMONTID_0000640" }, "dbo:inchi": "InChI=1S/ClO.Na/c1-2;/q-1;+1", "dbp:inchikey": "SUKJFIGYRHOWBL-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "SODIUM HYPOCHLORITE" }, "rdfs:seeAlso": { "@id": "compound:24340" }, "skos:prefLabel": { "@language": "nl", "@value": "natriumhypochloriet" }, "dbo:smiles": "[O-]Cl.[Na+]", "dbo:formula": "ClNaO" }, { "@id": "csc:XUKUURHRXDUEBC-KAYWLYCHSA-N", "skos:notation": "atvttne", "skos:prefLabel": { "@language": "nl", "@value": "atorvastatine" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { 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"3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione" }, "dbo:casNumber": [ "32809-16-8", "60120-20-9", "68444-90-6" ], "skos:broader": { "@id": "csc:CHEMONTID_0000303" }, "dbo:formula": "C13H11Cl2NO2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:36242" }, "dbo:pubchem": { "@value": "36242", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "procymidon" }, "skos:notation": "procmdn", "dbp:inchikey": "QXJKBPAVAHBARF-UHFFFAOYSA-N", "dbo:smiles": "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C", "dbo:inchi": "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3" }, { "@id": "csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C10H7ClN2O/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7/h1-6H,(H,12,14)", "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "dbo:iupacName": { "@language": "en", "@value": "6-chloro-3-phenyl-1H-pyridazin-4-one" }, "dbo:casNumber": "40020-01-7", 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"hexadecyltrimethylammoniumchloride" }, "dbo:formula": "C19H42ClN", "dbo:pubchem": { "@value": "8154", "@type": "xsd:int" }, "dbo:smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C19H42N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1" }, { "@id": "csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M", "dbp:inchikey": "KHSLHYAUZSPBIU-UHFFFAOYSA-M", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "23705", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]", "dbo:casNumber": "7281-04-1", "rdfs:seeAlso": { "@id": "compound:23705" }, "skos:prefLabel": { "@language": "nl", "@value": "dodecyldimethylbenzylammoniumbromide" }, "dbo:formula": "C21H38BrN", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-dimethylazanium bromide" }, "skos:notation": "DDBAB", 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"pindolol" } }, { "@id": "csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F", "dbo:iupacName": { "@language": "en", "@value": "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid" }, "dbo:casNumber": "93106-60-6", "skos:notation": "enrfxcne", "dbo:formula": "C19H22FN3O3", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)", "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "skos:prefLabel": { "@language": "nl", "@value": "enrofloxacine" }, "dbp:inchikey": "SPFYMRJSYKOXGV-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "71188", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:71188" } }, { "@id": "csc:DAIIXVPKQATIMF-UHFFFAOYSA-N", "dbo:casNumber": "3175-23-3", "dbo:smiles": 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"196959-41-8", "7440-45-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "CERIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "[Ce]", "dbo:inchi": "InChI=1S/Ce", "dbo:formula": "Ce", "rdfs:seeAlso": { "@id": "compound:23974" }, "dbo:pubchem": { "@value": "23974", "@type": "xsd:int" }, "skos:notation": "Ce", "dbp:inchikey": "GWXLDORMOJMVQZ-UHFFFAOYSA-N" }, { "@id": "csc:NVKAWKQGWWIWPM-ABEVXSGRSA-N", "dbo:iupacName": { "@language": "en", "@value": "(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one" }, "skos:notation": "DHT", "dbp:inchikey": "NVKAWKQGWWIWPM-ABEVXSGRSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001467" }, "dbo:inchi": 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"csc:CHEMONTID_0004756" }, "skos:prefLabel": { "@language": "nl", "@value": "furalaxyl" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "CIEXPHRYOLIQQD-UHFFFAOYSA-N", "dbo:casNumber": [ "66063-54-5", "57646-30-7" ], "dbo:formula": "C17H19NO4", "dbo:smiles": "CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)C2=CC=CO2", "dbo:inchi": "InChI=1S/C17H19NO4/c1-11-7-5-8-12(2)15(11)18(13(3)17(20)21-4)16(19)14-9-6-10-22-14/h5-10,13H,1-4H3" }, { "@id": "csc:TXGIGTRUEITPSC-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0001179" }, "skos:prefLabel": { "@language": "nl", "@value": "4:2 fluortelomeersulfonzuur" }, "skos:notation": "4:2 FTS", "dbo:iupacName": { "@language": "en", "@value": "3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonic acid" }, "rdfs:seeAlso": { "@id": "compound:20734543" }, "dbo:formula": "C6H5F9O3S", "dbo:inchi": 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"en", "@value": "2-Hydroxybenzoic acid" }, "rdfs:seeAlso": { "@id": "compound:338" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "salicylzuur" }, "skos:notation": "salczr", "dbo:pubchem": { "@value": "338", "@type": "xsd:int" }, "dbp:inchikey": "YGSDEFSMJLZEOE-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002514" }, "dbo:inchi": "InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)" }, { "@id": "csc:NIKBCKTWWPVAIC-UHFFFAOYSA-N", "dbo:casNumber": "80-44-4", "skos:prefLabel": { "@language": "nl", "@value": "butylbenzeensulfonaat" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:6642" }, "skos:broader": { "@id": "csc:CHEMONTID_0004309" }, "dbo:smiles": "CCCCOS(=O)(=O)C1=CC=CC=C1", "dbo:inchi": "InChI=1S/C10H14O3S/c1-2-3-9-13-14(11,12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3", "dbo:iupacName": { "@language": "en", "@value": "Butyl benzenesulfonate" }, "dbo:formula": "C10H14O3S", "skos:notation": "C4yBensfnt", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "6642", "@type": "xsd:int" }, "dbp:inchikey": "NIKBCKTWWPVAIC-UHFFFAOYSA-N" }, { "@id": "csc:YAIKCRUPEVOINQ-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C10H9NO6S2", "skos:prefLabel": { "@language": "nl", "@value": "2-aminonaftaleen-1,5-disulfonzuur" }, "dbo:smiles": "C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C(=C1)S(=O)(=O)O", "dbp:inchikey": "YAIKCRUPEVOINQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0003600" }, "rdfs:seeAlso": { "@id": "compound:8338" }, "dbo:pubchem": { "@value": "8338", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C10H9NO6S2/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)", "dbo:iupacName": { "@language": "en", "@value": "2-Aminonaphthalene-1,5-disulfonic acid" }, 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"skos:broader": { "@id": "csc:CHEMONTID_0004111" }, "dbo:iupacName": { "@language": "en", "@value": "1,4-Dimethoxybenzene" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "1,4-dimethoxybenzeen" }, "skos:notation": "14DC1oxBen", "dbo:smiles": "COC1=CC=C(C=C1)OC", "rdfs:seeAlso": { "@id": "compound:9016" }, "dbo:formula": "C8H10O2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C8H10O2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3", "dbo:casNumber": "150-78-7", "dbp:inchikey": "OHBQPCCCRFSCAX-UHFFFAOYSA-N" }, { "@id": "csc:PSIFNNKUMBGKDQ-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000041" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol" }, "dbo:formula": "C22H23ClN6O", "skos:inScheme": { "@id": 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"2,4,6-trinitrofenol" }, "dbo:pubchem": { "@value": "6954", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000141" }, "dbp:inchikey": "OXNIZHLAWKMVMX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6954" }, "dbo:smiles": "C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C6H3N3O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H", "dbo:formula": "C6H3N3O7", "dbo:iupacName": { "@language": "en", "@value": "2,4,6-Trinitrophenol" }, "skos:notation": "246TNO2Fol" }, { "@id": "csc:UUGLSEIATNSHRI-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "tetramethanol-acetyleendiureum" }, "dbo:formula": "C8H14N4O6", "dbo:casNumber": [ "53272-25-6", "5395-50-6", "100091-50-7" ], "dbo:smiles": "C(N1C2C(N(C1=O)CO)N(C(=O)N2CO)CO)O", "rdfs:seeAlso": { "@id": "compound:79372" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "T4C1olactlDu", 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"@value": "terbium" }, "dbp:inchikey": "GZCRRIHWUXGPOV-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "110424-82-3", "7440-27-9" ], "dbo:inchi": "InChI=1S/Tb", "dbo:smiles": "[Tb]", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "23958", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:formula": "Tb", "dbo:iupacName": { "@language": "en", "@value": "TERBIUM" }, "rdfs:seeAlso": { "@id": "compound:23958" }, "skos:notation": "Tb" }, { "@id": "csc:CMOYPQWMTBSLJK-KAMYIIQDSA-N", "skos:prefLabel": { "@language": "nl", "@value": "methyl o-acetylricinoleaat" }, "skos:broader": { "@id": "csc:CHEMONTID_0001722" }, "dbo:smiles": "CCCCCCC(CC=CCCCCCCCC(=O)OC)OC(=O)C", "dbo:casNumber": "140-03-4", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": 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"skos:prefLabel": { "@language": "nl", "@value": "heptafluorpropyl 1,2,2,2-tetrafluorethylether" }, "dbo:casNumber": "3330-15-2", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "1,1,1,2,2,3,3-heptafluoro-3-(1,2,2,2-tetrafluoroethoxy)propane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:94258" }, "dbp:inchikey": "CUTPKDUMZWIJKT-UHFFFAOYSA-N", "skos:notation": "F7C3yF4C2yEt", "dbo:smiles": "C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F", "dbo:inchi": "InChI=1S/C5HF11O/c6-1(2(7,8)9)17-5(15,16)3(10,11)4(12,13)14/h1H" }, { "@id": "csc:JQRZBPFGBRIWSN-YOTVLOEGSA-N", "dbo:pubchem": { "@value": "56329", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:56329" }, "skos:broader": { "@id": "csc:CHEMONTID_0004830" }, "dbo:formula": "C22H33N3O6", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O.O", "skos:prefLabel": { "@language": "nl", "@value": "cilazapril" }, "dbo:iupacName": { "@language": "en", "@value": "(1S,9S)-9-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-10-oxo-1,2,3,4,6,7,8,9-octahydropyridazino[1,2-a]diazepine-1-carboxylic acid hydrate" }, "dbo:casNumber": [ "92077-78-6", "88768-40-5" ], "dbp:inchikey": "JQRZBPFGBRIWSN-YOTVLOEGSA-N", "skos:notation": "cilzpl", "dbo:inchi": "InChI=1S/C22H31N3O5.H2O/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26;/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28);1H2/t17-,18-,19-;/m0./s1" }, { "@id": "csc:PZBPKYOVPCNPJY-UHFFFAOYSA-N", "dbp:inchikey": "PZBPKYOVPCNPJY-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2", "rdfs:seeAlso": { "@id": "compound:37175" }, "skos:prefLabel": { "@language": "nl", "@value": "imazalil" }, "skos:notation": "imzll", "skos:broader": { "@id": "csc:CHEMONTID_0002542" }, "dbo:smiles": "C=CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl", "dbo:casNumber": "35554-44-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "37175", "@type": "xsd:int" }, "dbo:formula": "C14H14Cl2N2O" }, { "@id": "csc:NFGXHKASABOEEW-LDRANXPESA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:5366546" }, "skos:broader": { "@id": "csc:CHEMONTID_0001550" }, "dbo:formula": "C19H34O3", "dbp:inchikey": "NFGXHKASABOEEW-LDRANXPESA-N", "dbo:casNumber": [ "134678-54-9", "65733-16-6", "41205-06-5", "208035-62-5", "36557-27-4", "208035-61-4", "52020-07-2", "40596-69-8" ], "dbo:inchi": "InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+", "dbo:pubchem": { "@value": "5366546", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "methopreen" }, "skos:notation": "metpn", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CC(C)OC(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC", "dbo:iupacName": { "@language": "en", "@value": "['propan-2-yl (2E,4E)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate', 'propan-2-yl 11-methoxy-3,7,11-trimethyldodeca-2,4-dienoate']" } }, { "@id": "csc:VBCVPMMZEGZULK-NRFANRHFSA-N", "dbp:inchikey": "VBCVPMMZEGZULK-NRFANRHFSA-N", "dbo:casNumber": [ "173584-44-6", "174060-41-4" ], "dbo:formula": "C22H17ClF3N3O7", "skos:broader": { "@id": "csc:CHEMONTID_0004714" }, "rdfs:seeAlso": { "@id": "compound:107720" }, "skos:prefLabel": { "@language": "nl", "@value": "indoxacarb (S-isomeer)" }, "skos:notation": "indxcb", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:smiles": "COC(=O)C12CC3=C(C1=NN(CO2)C(=O)N(C4=CC=C(C=C4)OC(F)(F)F)C(=O)OC)C=CC(=C3)Cl", "dbo:pubchem": { "@value": "107720", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3/t21-/m0/s1", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:altLabel": { "@language": "nl", "@value": "indoxacarb (s-isomeer)" }, "dbo:iupacName": { "@language": "en", "@value": "methyl (4aS)-7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[3,2-e][1,3,4]oxadiazine-4a-carboxylate" } }, { "@id": "csc:LNDUTAIPEYOCDF-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C31H23BrO3/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,34H,17-18H2", "dbo:formula": "C31H23BrO3", "skos:notation": "brodfcm", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "41736", "@type": "xsd:int" }, "dbo:smiles": "C1C(CC2=CC=CC=C2C1C3=C(OC4=CC=CC=C4C3=O)O)C5=CC=C(C=C5)C6=CC=C(C=C6)Br", "skos:prefLabel": { "@language": "nl", "@value": "brodifacum" }, "dbp:inchikey": "LNDUTAIPEYOCDF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:41736" }, "dbo:casNumber": [ "80449-88-3", "56073-10-0" ], "dbo:iupacName": { "@language": "en", "@value": "3-[3-[4-(4-bromophenyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-2-hydroxychromen-4-one" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002044" } }, { "@id": "csc:ALZOLUNSQWINIR-UHFFFAOYSA-N", "dbo:casNumber": "90717-03-6", "dbo:formula": "C11H8ClNO2", "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C11H8ClNO2/c1-6-4-7-2-3-8(12)9(11(14)15)10(7)13-5-6/h2-5H,1H3,(H,14,15)", "dbp:inchikey": "ALZOLUNSQWINIR-UHFFFAOYSA-N", "skos:notation": "quinmrc", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "7-Chloro-3-methylquinoline-8-carboxylic acid" }, "dbo:smiles": "CC1=CC2=C(C(=C(C=C2)Cl)C(=O)O)N=C1", "rdfs:seeAlso": { "@id": "compound:91749" }, "dbo:pubchem": { "@value": "91749", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "quinmerac" } }, { "@id": "csc:FITIWKDOCAUBQD-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:casNumber": [ "64772-54-9", "34643-46-4" ], "dbo:iupacName": { "@language": "en", "@value": "(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidenephosphorane" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:notation": "protofs", "dbo:inchi": "InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3", "dbo:smiles": "CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl", "dbp:inchikey": "FITIWKDOCAUBQD-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:36870" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "prothiofos" }, "dbo:formula": "C11H15Cl2O2PS2", "dbo:pubchem": { "@value": "36870", "@type": "xsd:int" } }, { "@id": "csc:TXEYQDLBPFQVAA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "tetrafluoromethane" }, "dbo:casNumber": "75-73-0", "dbo:inchi": "InChI=1S/CF4/c2-1(3,4)5", "rdfs:seeAlso": { "@id": "compound:6393" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0001517" }, "skos:prefLabel": { "@language": "nl", "@value": "tetrafluormethaan" }, "dbp:inchikey": "TXEYQDLBPFQVAA-UHFFFAOYSA-N", "dbo:formula": "CF4", "dbo:smiles": "C(F)(F)(F)F", "skos:altLabel": [ { "@language": "nl", "@value": "perfluormethaan" }, { "@language": "nl", "@value": "koolstoffluoride" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:definition": { "@language": "nl", "@value": "Tetrafluormethaan is een kleurloos, onbrandbaar gas. Het wordt als vloeistof onder druk verzonden. Bij hoge concentraties kan het verdovend werken. Bij langdurige blootstelling aan vuur of hitte kunnen de containers met geweld scheuren en wegschieten. Het wordt gebruikt als koelmiddel." }, "dbo:pubchem": { "@value": "6393", "@type": "xsd:int" }, "skos:notation": "CF4" }, { "@id": "csc:VKYKSIONXSXAKP-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002798" }, "dbo:smiles": "C1N2CN3CN1CN(C2)C3", "dbo:casNumber": [ "91773-48-7", "11103-67-6", "74734-16-0", "24911-88-4", "15978-33-3", "100-97-0", "56549-34-9" ], "dbo:inchi": "InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2", "dbo:pubchem": { "@value": "4101", "@type": "xsd:int" }, "skos:notation": "HxC1yeT4Ae", "dbp:inchikey": "VKYKSIONXSXAKP-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:formula": "C6H12N4", "rdfs:seeAlso": { "@id": "compound:4101" }, "dbo:iupacName": { "@language": "en", "@value": "1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "hexamethyleentetramine (Urotropine)" } }, { "@id": "csc:VRBKIVRKKCLPHA-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "4449", "@type": "xsd:int" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "nefazodone" }, "dbo:casNumber": "83366-66-9", "skos:broader": { "@id": "csc:CHEMONTID_0001984" }, "skos:notation": "nefzdne", "dbo:iupacName": { "@language": "en", "@value": "2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one" }, "dbo:smiles": "CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl", "dbp:inchikey": "VRBKIVRKKCLPHA-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:seeAlso": { "@id": "compound:4449" }, "dbo:inchi": "InChI=1S/C25H32ClN5O2/c1-2-24-27-31(25(32)30(24)18-19-33-23-10-4-3-5-11-23)13-7-12-28-14-16-29(17-15-28)22-9-6-8-21(26)20-22/h3-6,8-11,20H,2,7,12-19H2,1H3", "dbo:formula": "C25H32ClN5O2" }, { "@id": "csc:GECHUMIMRBOMGK-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001925" }, "dbo:casNumber": "144-83-2", "skos:notation": "sulfprdne", "dbo:smiles": "C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbo:pubchem": { "@value": "5336", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-pyridin-2-ylbenzenesulfonamide" }, "dbo:formula": "C11H11N3O2S", "rdfs:seeAlso": { "@id": "compound:5336" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfapyridine" }, "dbp:inchikey": "GECHUMIMRBOMGK-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)" }, { "@id": "csc:MQIUGAXCHLFZKX-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:8346" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "dioctylftalaat" }, "dbo:iupacName": { "@language": "en", "@value": 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