{ "@graph": [ { "@id": "csc:WGTYBPLFGIVFAS-UHFFFAOYSA-M", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "C[N+](C)(C)C.[OH-]", "dbo:formula": "C4H13NO", "dbo:iupacName": { "@language": "en", "@value": "tetramethylazanium hydroxide" }, "dbo:casNumber": [ "104422-11-9", "105468-35-7", "154636-59-6", "75-59-2", "129654-61-1", "78017-87-5", "93615-68-0" ], "dbo:pubchem": { "@value": "60966", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=WGTYBPLFGIVFAS-UHFFFAOYSA-M", "skos:prefLabel": { "@language": "nl", "@value": "tetramethylammoniumhydroxide" }, "rdfs:seeAlso": { "@id": "compound:60966" }, "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "dbo:inchi": "InChI=1S/C4H12N.H2O/c1-5(2,3)4;/h1-4H3;1H2/q+1;/p-1" }, { "@id": "vlcs:chemische_stof", "skos:prefLabel": { "@language": "nl", "@value": "Conceptschema Chemische Stoffen" }, "skos:definition": { "@language": "nl", "@value": "Een stof is in de scheikunde een vorm van materie die een gelijke chemische samenstelling heeft, een chemisch zuivere stof. Deze wordt gekenmerkt door specifieke, uniforme stofeigenschappen, zoals dichtheid, geleidbaarheid en smeltpunt." }, "xkos:belongsTo": { "@id": "omg_dataset:codelijst-chemische_stof" }, "@type": "skos:ConceptScheme" }, { "@id": "csc:GDOPTJXRTPNYNR-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:prefLabel": { "@language": "nl", "@value": "methylcyclopentaan" }, "rdfs:seeAlso": { "@id": "compound:7296" }, "dbo:formula": "C6H12", "dbo:pubchem": { "@value": "7296", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3", "dbo:casNumber": [ "5310-57-6", "96-37-7" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "C1yccC5a", "dbo:iupacName": { "@language": "en", "@value": "Methylcyclopentane" }, "skos:broader": { "@id": "csc:CHEMONTID_0001016" }, "dbo:smiles": "CC1CCCC1", "dbp:inchikey": "InChIKey=GDOPTJXRTPNYNR-UHFFFAOYSA-N" }, { "@id": "csc:YCOZIPAWZNQLMR-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0002500" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:formula": "C15H32", "rdfs:seeAlso": { "@id": "compound:12391" }, "skos:prefLabel": { "@language": "nl", "@value": "n-pentadecaan" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "12391", "@type": "xsd:int" }, "skos:notation": "NC15a", "dbp:inchikey": "InChIKey=YCOZIPAWZNQLMR-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3", "dbo:iupacName": { "@language": "en", "@value": "Pentadecane" }, "dbo:smiles": "CCCCCCCCCCCCCCC", "dbo:casNumber": "629-62-9" }, { "@id": "csc:QEFYFXOXNSNQGX-UHFFFAOYSA-N", "dbo:smiles": "[Nd]", "skos:notation": "Nd", "dbp:inchikey": "InChIKey=QEFYFXOXNSNQGX-UHFFFAOYSA-N", "dbo:casNumber": [ "7440-00-8", "42320-27-4", "110123-51-8" ], "rdfs:seeAlso": { "@id": "compound:23934" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "neodymium" }, "dbo:iupacName": { "@language": "en", "@value": "NEODYMIUM" }, "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:pubchem": { "@value": "23934", "@type": "xsd:int" }, "dbo:inchi": "InChI=1S/Nd", "dbo:formula": "Nd" }, { "@id": "csc:UHCLFIWDCYOTOL-UHFFFAOYSA-N", "dbo:casNumber": "52663-63-5", "dbo:inchi": "InChI=1S/C12H4Cl6/c13-5-1-2-7(14)6(3-5)10-11(17)8(15)4-9(16)12(10)18/h1-4H", "rdfs:seeAlso": { "@id": "compound:40471" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,5,5',6-hexachloorbifenyl" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4,5-tetrachloro-3-(2,5-dichlorophenyl)benzene" }, "dbo:formula": "C12H4Cl6", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "40471", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=UHCLFIWDCYOTOL-UHFFFAOYSA-N", "dbo:smiles": "C1=CC(=C(C=C1Cl)C2=C(C(=CC(=C2Cl)Cl)Cl)Cl)Cl", "skos:notation": "PCB151", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:YGUFQYGSBVXPMC-UHFFFAOYSA-N", "dbo:casNumber": "6358-64-1", "dbo:smiles": "COC1=CC(=C(C=C1N)OC)Cl", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "4-Chloro-2,5-dimethoxyaniline" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,5-dimethoxy-4-chlooraniline" }, "rdfs:seeAlso": { "@id": "compound:22833" }, "skos:broader": { "@id": "csc:CHEMONTID_0004111" }, "dbo:inchi": "InChI=1S/C8H10ClNO2/c1-11-7-4-6(10)8(12-2)3-5(7)9/h3-4H,10H2,1-2H3", "dbo:formula": "C8H10ClNO2", "dbo:pubchem": { "@value": "22833", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=YGUFQYGSBVXPMC-UHFFFAOYSA-N" }, { "@id": "csc:JJWIOXUMXIOXQN-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001016" }, "skos:prefLabel": { "@language": "nl", "@value": "cyclohexadecaan" }, "skos:notation": "cycC16a", "dbo:smiles": "C1CCCCCCCCCCCCCCC1", "rdfs:seeAlso": { "@id": "compound:67526" }, "dbp:inchikey": "InChIKey=JJWIOXUMXIOXQN-UHFFFAOYSA-N", "dbo:casNumber": "295-65-8", "dbo:formula": "C16H32", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/C16H32/c1-2-4-6-8-10-12-14-16-15-13-11-9-7-5-3-1/h1-16H2", "dbo:iupacName": { "@language": "en", "@value": "Cyclohexadecane" }, "dbo:pubchem": { "@value": "67526", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GKWYMWZWSCKSMT-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:smiles": "CC(CC1=CC=C(C=C1)F)N.Cl", "dbo:formula": "C9H13ClFN", "skos:broader": { "@id": "csc:CHEMONTID_0000188" }, "dbo:casNumber": [ "459-02-9", "459-01-8" ], "rdfs:seeAlso": { "@id": "compound:120675" }, "skos:prefLabel": { "@language": "nl", "@value": "4-fluoramfetamine" }, "skos:notation": "4FamfAe", "dbp:inchikey": "InChIKey=GKWYMWZWSCKSMT-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "120675", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1-(4-fluorophenyl)propan-2-amine hydrochloride" } }, { "@id": "csc:ORSUTASIQKBEFU-UHFFFAOYSA-N", "dbo:smiles": "CCCCN(CC)CC", "skos:prefLabel": { "@language": "nl", "@value": "diethylbutylamine" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "DC2yC4yAe", "skos:broader": { "@id": "csc:CHEMONTID_0002239" }, "dbo:iupacName": { "@language": "en", "@value": "N,N-diethylbutan-1-amine" }, "dbo:casNumber": "4444-68-2", "dbp:inchikey": "InChIKey=ORSUTASIQKBEFU-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C8H19N/c1-4-7-8-9(5-2)6-3/h4-8H2,1-3H3", "dbo:pubchem": { "@value": "20513", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:20513" }, "dbo:formula": "C8H19N" }, { "@id": "csc:LGIRBUBHIWTVCK-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "C1=C2C(=C(C(=C1Cl)Cl)Cl)OC3=C(C(=C(C=C3O2)Cl)Cl)Cl", "skos:altLabel": [ { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzo-p-dioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzodioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzo-para-dioxine" }, { "@language": "nl", "@value": "1,2,3,7,8,9-hexachloordibenzodioxine (hxcdd)" } ], "skos:broader": { "@id": "csc:CHEMONTID_0000420" }, "skos:notation": "PCDD70", "skos:prefLabel": { "@language": "nl", "@value": " 1,2,3,7,8,9-hexachloordibenzodioxine" }, "dbo:casNumber": "19408-74-3", "dct:isReferencedBy": { "@id": "co:LUC_VI_002" }, "vcs:vmmParameterId": { "@value": "1250", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II+ bijlagen" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'dioxinen en furanen'" } ], "dbp:inchikey": "InChIKey=LGIRBUBHIWTVCK-UHFFFAOYSA-N", "skos:exactMatch": { "@id": "wise:CAS_19408-74-3" }, "dbo:pubchem": { "@value": "29575", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,7,8,9-hexachlorooxanthrene" }, "dbo:formula": "C12H2Cl6O2", "rdfs:seeAlso": { "@id": "compound:29575" }, "dbo:inchi": "InChI=1S/C12H2Cl6O2/c13-3-1-5-11(9(17)7(3)15)20-12-6(19-5)2-4(14)8(16)10(12)18/h1-2H" }, { "@id": "csc:ZKLPARSLTMPFCP-UHFFFAOYSA-N", "dbo:casNumber": "83881-51-0", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=ZKLPARSLTMPFCP-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)", "skos:broader": { "@id": "csc:CHEMONTID_0000369" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "2678", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "cetirizine" }, "dbo:formula": "C21H25ClN2O3", "skos:notation": "cetrzne", "dbo:iupacName": { "@language": "en", "@value": "2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid" }, "dbo:smiles": "C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl", "rdfs:seeAlso": { "@id": "compound:2678" } }, { "@id": "csc:AHUWMUAVZFJTOC-HNQUOIGGSA-N", "dbo:pubchem": { "@value": "6433386", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:notation": "3Br1ClC3e", "dbo:inchi": "InChI=1S/C3H4BrCl/c4-2-1-3-5/h1,3H,2H2/b3-1+", "rdfs:seeAlso": { "@id": "compound:6433386" }, "skos:prefLabel": { "@language": "nl", "@value": "3-broom-1-chloorpropeen" }, "dbo:formula": "C3H4BrCl", "dbo:casNumber": "3737-00-6", "dbp:inchikey": "InChIKey=AHUWMUAVZFJTOC-HNQUOIGGSA-N", "dbo:iupacName": { "@language": "en", "@value": "(E)-3-bromo-1-chloroprop-1-ene" }, "dbo:smiles": "C(C=CCl)Br", "skos:broader": { "@id": "csc:CHEMONTID_0002863" } }, { "@id": "csc:LXQXZNRPTYVCNG-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Am", "dbo:casNumber": [ "7440-35-9", "22541-46-4" ], "dbo:smiles": "[Am]", "dbo:iupacName": { "@language": "en", "@value": "AMERICIUM" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:inchi": "InChI=1S/Am", "skos:broader": { "@id": "csc:CHEMONTID_0000430" }, "rdfs:seeAlso": { "@id": "compound:23966" }, "dbp:inchikey": "InChIKey=LXQXZNRPTYVCNG-UHFFFAOYSA-N", "skos:notation": "Am", "skos:prefLabel": { "@language": "nl", "@value": "americium" }, "dbo:pubchem": { "@value": "23966", "@type": "xsd:int" } }, { "@id": "csc:FSPSELPMWGWDRY-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "11455", "@type": "xsd:int" }, "dbo:casNumber": 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"@id": "csc:CHEMONTID_0001925" }, "dbo:smiles": "C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N", "dbp:inchikey": "InChIKey=SEEPANYCNGTZFQ-UHFFFAOYSA-N", "dbo:formula": "C10H10N4O2S", "dbo:iupacName": { "@language": "en", "@value": "4-amino-N-pyrimidin-2-ylbenzenesulfonamide" }, "dbo:casNumber": [ "68-35-9", "141582-64-1" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "sulfdazne", "dbo:pubchem": { "@value": "5215", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:5215" }, "skos:prefLabel": { "@language": "nl", "@value": "sulfadiazine" }, "dbo:inchi": "InChI=1S/C10H10N4O2S/c11-8-2-4-9(5-3-8)17(15,16)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)" }, { "@id": "csc:YRSSHOVRSMQULE-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "chlooroxynil" }, "dbo:pubchem": { "@value": "74685", "@type": "xsd:int" }, "dbo:formula": "C7H3Cl2NO", "skos:notation": "ClOxnl", "dbp:inchikey": "InChIKey=YRSSHOVRSMQULE-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "dbo:inchi": "InChI=1S/C7H3Cl2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H", "rdfs:seeAlso": { "@id": "compound:74685" }, "dbo:smiles": "C1=C(C=C(C(=C1Cl)O)Cl)C#N", "dbo:casNumber": "1891-95-8", "dbo:iupacName": { "@language": "en", "@value": "3,5-Dichloro-4-hydroxybenzonitrile" } }, { "@id": "csc:MYEIDJPOUKASEC-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:notation": "DHsfl", "dbo:pubchem": { "@value": "7197", "@type": "xsd:int" }, "dbo:casNumber": "94-58-6", "skos:prefLabel": { "@language": "nl", "@value": "dihydrosafrol" }, "dbo:formula": "C10H12O2", "skos:broader": { "@id": "csc:CHEMONTID_0000296" }, "dbo:smiles": "CCCC1=CC2=C(C=C1)OCO2", "dbo:inchi": "InChI=1S/C10H12O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h4-6H,2-3,7H2,1H3", "rdfs:seeAlso": { "@id": "compound:7197" }, "dbp:inchikey": "InChIKey=MYEIDJPOUKASEC-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "5-Propyl-1,3-benzodioxole" } }, { "@id": "csc:MZGNSEAPZQGJRB-UHFFFAOYSA-N", "dbo:smiles": "CN(C)C(=S)S", "dbp:inchikey": "InChIKey=MZGNSEAPZQGJRB-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "6599", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000004" }, "dbo:iupacName": { "@language": "en", "@value": "dimethylaminomethanedithioic acid" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:seeAlso": { "@id": "compound:6599" }, "skos:notation": "DC1yDtocbmt", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)", "dbo:formula": "C3H7NS2", "skos:prefLabel": { "@language": "nl", "@value": "dimethyldithiocarbamaat" }, "dbo:casNumber": "79-45-8" }, { "@id": "csc:PQTBTIFWAXVEPB-UHFFFAOYSA-N", "dbo:smiles": "CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004673" }, "rdfs:seeAlso": { "@id": "compound:91760" }, "skos:prefLabel": { "@language": "nl", "@value": "sulcotrion" }, "dbo:pubchem": { "@value": "91760", "@type": "xsd:int" }, "dbo:formula": "C14H13ClO5S", "dbo:casNumber": [ "99105-77-8", "114680-61-4", "123174-48-1" ], "dbo:iupacName": { "@language": "en", "@value": "2-(2-chloro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione" }, "skos:notation": "sulcton", "dbo:inchi": "InChI=1S/C14H13ClO5S/c1-21(19,20)8-5-6-9(10(15)7-8)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3", "dbp:inchikey": "InChIKey=PQTBTIFWAXVEPB-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:IJLXLZGJDSJGIQ-BILPMHSYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:inchi": "InChI=1S/C22H32O3/c1-3-13-11-19-18-6-4-14-10-15(24)5-7-16(14)17(18)8-9-22(19,2)21(13)20(25)12-23/h10,13,16-19,21,23H,3-9,11-12H2,1-2H3/t13-,16+,17-,18-,19+,21-,22+/m1/s1", "skos:notation": "org2058", "dbp:inchikey": "InChIKey=IJLXLZGJDSJGIQ-BILPMHSYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "16alfa-ethyl-21-hydroxy-19-nor-4-pregnene-3,20-dione" }, "dbo:smiles": "CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C1C(=O)CO)C", "skos:broader": { "@id": "csc:CHEMONTID_0003095" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "119086", "@type": "xsd:int" }, "dbo:casNumber": "24320-06-7", "rdfs:seeAlso": { "@id": "compound:119086" }, "dbo:formula": "C22H32O3", "dbo:iupacName": { "@language": "en", "@value": "(8R,9S,10R,13S,14S,16R,17S)-16-ethyl-17-(2-hydroxyacetyl)-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one" } }, { "@id": "csc:GRKDVZMVHOLESV-UHFFFAOYSA-N", "skos:notation": "PeBrFyC1yacl", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "rdfs:seeAlso": { "@id": "compound:101059" }, "dbp:inchikey": "InChIKey=GRKDVZMVHOLESV-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "(pentabroomfenyl)methylacrylaat" }, "dbo:formula": "C10H5Br5O2", "dbo:inchi": "InChI=1S/C10H5Br5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2H,1,3H2", "dbo:casNumber": "59447-55-1", "dbo:smiles": "C=CC(=O)OCC1=C(C(=C(C(=C1Br)Br)Br)Br)Br", "dbo:pubchem": { "@value": "101059", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "(2,3,4,5,6-pentabromophenyl)methyl prop-2-enoate" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0001097" } }, { "@id": "csc:OGPBJKLSAFTDLK-NJFSPNSNSA-N", "dbp:inchikey": "InChIKey=OGPBJKLSAFTDLK-NJFSPNSNSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:105012" }, "dbo:inchi": "InChI=1S/Eu/i1+2", "skos:notation": "Eu154", "skos:broader": { "@id": "csc:CHEMONTID_0000429" }, "dbo:smiles": "[Eu]", "dbo:casNumber": "15585-10-1", "dbo:pubchem": { "@value": "105012", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "europium-154" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "Eu", "skos:prefLabel": { "@language": "nl", "@value": "europium 154" } }, { "@id": "csc:XEEYBQQBJWHFJM-AKLPVKDBSA-N", "dbo:inchi": "InChI=1S/Fe/i1+3", "dbo:casNumber": "14596-12-4", "rdfs:seeAlso": { "@id": "compound:104784" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "104784", "@type": "xsd:int" }, "dbo:formula": "Fe", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dbo:iupacName": { "@language": "en", "@value": "iron-59" }, "skos:notation": "Fe59", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "ijzer 59" }, "dbp:inchikey": "InChIKey=XEEYBQQBJWHFJM-AKLPVKDBSA-N", "dbo:smiles": "[Fe]" }, { "@id": "csc:RKZDZWJDQTZDLD-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "9147", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "4H-cyclopenta(def)fenantreen" }, "dbo:inchi": "InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2", "dbo:casNumber": "203-64-5", "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:notation": "4HccPedefF02", "dbp:inchikey": "InChIKey=RKZDZWJDQTZDLD-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C15H10", "skos:altLabel": { "@language": "nl", "@value": "4h-cyclopenta(def)fenantreen" }, "rdfs:seeAlso": { "@id": "compound:9147" }, "dbo:iupacName": { "@language": "en", "@value": "tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene" }, "dbo:smiles": "C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3", "skos:broader": { "@id": "csc:CHEMONTID_0000025" } }, { "@id": "csc:UREBDLICKHMUKA-DVTGEIKXSA-N", "dbo:formula": "C22H29FO5", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one" }, "dbo:inchi": "InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1", "skos:notation": "betmtsn", "dbo:casNumber": "378-44-9", "rdfs:seeAlso": { "@id": "compound:9782" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "9782", "@type": "xsd:int" }, "dbp:inchikey": "InChIKey=UREBDLICKHMUKA-DVTGEIKXSA-N", "skos:prefLabel": { "@language": "nl", "@value": "betamethason" }, "dbo:smiles": "CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C", "skos:broader": { "@id": "csc:CHEMONTID_0003095" } }, { "@id": "csc:UQEAIHBTYFGYIE-UHFFFAOYSA-N", "skos:notation": "HxC1yDslxn", "dbo:formula": "C6H18OSi2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=UQEAIHBTYFGYIE-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "skos:broader": { "@id": "csc:CHEMONTID_0003205" }, "dbo:pubchem": { "@value": "24764", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "hexamethyldisiloxaan" }, "dbo:smiles": "C[Si](C)(C)O[Si](C)(C)C", "dbo:iupacName": { "@language": "en", "@value": "trimethyl-trimethylsilyloxysilane" }, "dbo:casNumber": [ "107-46-0", "9006-65-9" ], "dbo:inchi": "InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3", "rdfs:seeAlso": { "@id": "compound:24764" } }, { "@id": "csc:ICVKYYINQHWDLM-YLNALPTESA-N", "dbo:smiles": "CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC.C(C(C(=O)O)O)(C(=O)O)O", "dbp:inchikey": "InChIKey=ICVKYYINQHWDLM-YLNALPTESA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:casNumber": "1405-54-5", "dbo:iupacName": { "@language": "en", "@value": "(2R,3R)-2,3-dihydroxybutanedioic acid; 2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde" }, "rdfs:seeAlso": { "@id": "compound:6433274" }, "dbo:pubchem": { "@value": "6433274", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000282" }, "skos:prefLabel": { "@language": "nl", "@value": "tylosine tartraat" }, "dbo:inchi": "InChI=1S/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39?,40-,41-,42-,43+,44+,45-,46-;1-,2-/m11/s1", "skos:notation": "tylsnttt", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C50H83NO23" }, { "@id": "csc:DWAQJAXMDSEUJJ-UHFFFAOYSA-L", "dbo:formula": "NaO3S-", "skos:broader": { "@id": "csc:CHEMONTID_0000661" }, "dbo:smiles": "[O-]S(=O)[O-].[Na+]", "dbo:inchi": "InChI=1S/Na.H2O3S/c;1-4(2)3/h;(H2,1,2,3)/q+1;/p-2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "6398973", "@type": "xsd:int" }, "dbo:casNumber": [ 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"vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=GPTVQTPMFOLLOA-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-CHLORO-2-ETHOXYETHANE" }, "rdfs:seeAlso": { "@id": "compound:12341" }, "dbo:inchi": "InChI=1S/C4H9ClO/c1-2-6-4-3-5/h2-4H2,1H3", "dbo:pubchem": { "@value": "12341", "@type": "xsd:int" }, "dbo:smiles": "CCOCCCl", "skos:prefLabel": { "@language": "nl", "@value": "2-chloorethylether" }, "dbo:casNumber": "628-34-2", "skos:notation": "2ClEyEtr", "skos:broader": { "@id": "csc:CHEMONTID_0001167" } }, { "@id": "csc:FSCWZHGZWWDELK-UHFFFAOYSA-N", "skos:prefLabel": { "@language": "nl", "@value": "vinclozolin" }, "skos:broader": { "@id": "csc:CHEMONTID_0002564" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=FSCWZHGZWWDELK-UHFFFAOYSA-N", "skos:notation": "vinczln", "dbo:smiles": "CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C", "dbo:pubchem": { "@value": "39676", "@type": "xsd:int" }, "@type": [ "dbo:ChemicalSubstance", 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"csc:YBNLWIZAWPBUKQ-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "trichloro-(trichloromethylsulfonyl)methane" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "dbo:inchi": "InChI=1S/C2Cl6O2S/c3-1(4,5)11(9,10)2(6,7)8", "skos:prefLabel": { "@language": "nl", "@value": "bis(trichloormethyl)sulfon" }, "dbo:casNumber": "3064-70-8", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "bisTClC1ysfn", "dbo:formula": "C2Cl6O2S", "skos:broader": { "@id": "csc:CHEMONTID_0000505" }, "dbp:inchikey": "InChIKey=YBNLWIZAWPBUKQ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "62478", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:62478" }, "dbo:smiles": "C(S(=O)(=O)C(Cl)(Cl)Cl)(Cl)(Cl)Cl" }, { "@id": "csc:CWJSHJJYOPWUGX-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:smiles": "CC(C)OC(=O)NC1=CC(=CC=C1)Cl", "dbo:formula": 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"skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:casNumber": [ "26101-97-3", "87-83-2" ], "skos:prefLabel": { "@language": "nl", "@value": "pentabroomtolueen" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "dbo:pubchem": { "@value": "6906", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0001098" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,3,4,5-pentabromo-6-methylbenzene" }, "dbo:smiles": "CC1=C(C(=C(C(=C1Br)Br)Br)Br)Br", "dbp:inchikey": "InChIKey=OZHJEQVYCBTHJT-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:6906" }, "dbo:inchi": "InChI=1S/C7H3Br5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3" }, { "@id": "csc:CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C7H16O3/c1-6(4-8)10-5-7(2)9-3/h6-8H,4-5H2,1-3H3", "dbo:casNumber": [ "13588-28-8", "112388-78-0", "83730-60-3", "197632-43-2", "12002-35-6", "104512-57-4", "34590-94-8" ], "skos:notation": [ "22C1oxC3ox1C", "DC3yegcC1yEt" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "2-(2-methoxypropoxy)propan-1-ol" }, "dbo:smiles": "CC(CO)OCC(C)OC", "rdfs:seeAlso": { "@id": "compound:25485" }, "skos:broader": { "@id": "csc:CHEMONTID_0001167" }, "dbp:inchikey": "InChIKey=CUDYYMUUJHLCGZ-UHFFFAOYSA-N", "skos:altLabel": { "@language": "nl", "@value": "2-(2-methoxypropoxy)-1-propanol" }, "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:prefLabel": { "@language": "nl", "@value": "dipropyleenglycolmonomethylether" }, "dbo:formula": "C7H16O3", "dbo:pubchem": { "@value": "25485", "@type": "xsd:int" } }, { "@id": "csc:JTUSORDQZVOEAZ-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=JTUSORDQZVOEAZ-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "38881", "@type": "xsd:int" }, "dbo:smiles": "C1=CC(=C(C(=C1)Cl)Cl)C2=CC(=C(C=C2Cl)Cl)Cl", "dbo:formula": "C12H5Cl5", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:38881" }, "dbo:iupacName": { "@language": "en", "@value": "1,2,4-trichloro-5-(2,3-dichlorophenyl)benzene" }, "dbo:casNumber": "41464-51-1", "skos:notation": "PCB97", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:prefLabel": { "@language": "nl", "@value": "2,2',3,4',5'-pentachloorbifenyl" }, "dbo:inchi": "InChI=1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H", "skos:broader": { "@id": "csc:CHEMONTID_0003030" } }, { "@id": "csc:QBAYIBZITZBSFO-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:67759" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=QBAYIBZITZBSFO-UHFFFAOYSA-N", "dbo:casNumber": "360-64-5", "dbo:smiles": "C1=CC=C(C(=C1)C(=O)N)C(F)(F)F", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0004551" }, "dbo:pubchem": { "@value": "67759", "@type": "xsd:int" }, "skos:notation": "2TFC1yBenAd", "dbo:inchi": "InChI=1S/C8H6F3NO/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)", "dbo:iupacName": { "@language": "en", "@value": "2-(Trifluoromethyl)benzamide" }, "dbo:formula": "C8H6F3NO", "skos:prefLabel": { "@language": "nl", "@value": "2-trifluoromethylbenzamide" } }, { "@id": "csc:VYZAMTAEIAYCRO-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0000426" }, "dct:isReferencedBy": [ { "@id": "co:LUC_I_002" }, { "@id": "co:LUC_III_010" } ], "dbo:casNumber": [ "7440-47-3", "19498-56-7", "195161-82-1", "188785-87-7" ], "skos:altLabel": [ { "@language": "nl", "@value": "chroom" }, { "@language": "nl", "@value": "chroom (cr)" }, { "@language": "nl", "@value": "chroom, opgelost" } ], "skos:notation": "Cr", "vcs:vmmParameterId": [ { "@value": "1929", "@type": "xsd:int" }, { "@value": "154", "@type": "xsd:int" }, { "@value": "155", "@type": "xsd:int" }, { "@value": "153", "@type": "xsd:int" } ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbp:inchikey": "InChIKey=VYZAMTAEIAYCRO-UHFFFAOYSA-N", "rdfs:comment": [ { "@language": "nl", "@value": "VLAR II D5 'chroom en zijn verbindingen uitgedrukt in Cr' en 'chroom en chroomverbindingen, uitgedrukt als chroom (Cr)'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chroom en zijn verbindingen, uitgedrukt in Cr'" }, { "@language": "nl", "@value": "VLAR III (D3, diverse art) 'Cr'" } ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/Cr", "dbo:formula": "Cr", "dbo:pubchem": { "@value": "23976", "@type": "xsd:int" }, "dbo:smiles": "[Cr]", "rdfs:seeAlso": { "@id": "compound:23976" }, "skos:prefLabel": { "@language": "nl", "@value": "Chroom (Cr)" }, "dbo:iupacName": { "@language": "en", "@value": "Chromium" }, "skos:definition": { "@language": "nl", "@value": "chroom en chroomverbindingen, uitgedrukt als chroom (Cr)" }, "skos:exactMatch": { "@id": "wise:CAS_7440-47-3" } }, { "@id": "csc:DAIIXVPKQATIMF-UHFFFAOYSA-N", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1,2,2-TRICHLOROPROPANE" }, "dbp:inchikey": "InChIKey=DAIIXVPKQATIMF-UHFFFAOYSA-N", "skos:broader": { "@id": "csc:CHEMONTID_0001516" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C3H5Cl3", "dbo:pubchem": { "@value": "18505", "@type": "xsd:int" }, "skos:notation": "122TClC3a", "dbo:inchi": "InChI=1S/C3H5Cl3/c1-3(5,6)2-4/h2H2,1H3", "skos:prefLabel": { "@language": "nl", "@value": "1,2,2-trichloorpropaan" }, "rdfs:seeAlso": { "@id": "compound:18505" }, "dbo:smiles": "CC(CCl)(Cl)Cl", "dbo:casNumber": "3175-23-3" }, { "@id": "csc:SPFYMRJSYKOXGV-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:71188" }, "dbo:pubchem": { "@value": "71188", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "enrofloxacine" }, "skos:broader": { "@id": "csc:CHEMONTID_0002552" }, "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:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C19H22FN3O3", "skos:notation": "enrfxcne", "dbo:casNumber": "93106-60-6", "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbp:inchikey": "InChIKey=SPFYMRJSYKOXGV-UHFFFAOYSA-N", "dbo:iupacName": { "@language": "en", "@value": "1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid" }, "dbo:smiles": "CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F" }, { "@id": "csc:KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbp:inchikey": "InChIKey=KZBUYRJDOAKODT-UHFFFAOYSA-N", "dbo:smiles": "ClCl", "dbo:pubchem": { "@value": "24526", "@type": "xsd:int" }, "skos:altLabel": { "@language": "nl", "@value": "chloor" }, "dct:isReferencedBy": { "@id": "co:LUC_III_002" }, "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "rdfs:comment": [ { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II (D5)" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloorgas'" }, { "@language": "nl", "@value": "VLAR II bijl. 4.4.2 'chloorgas'" }, { "@language": "nl", "@value": "VLAR III (D3) 'chloor, uitgedrukt als Cl2'" }, { "@language": "nl", "@value": "VLAR II bijl. 2.5.1" } ], "skos:notation": "Cl2", "dbo:formula": "Cl2", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0000432" }, "dbo:casNumber": "7782-50-5", "rdfs:seeAlso": { "@id": "compound:24526" }, "skos:prefLabel": { "@language": "nl", "@value": "dichloor" }, "dbo:iupacName": { "@language": "en", "@value": "Molecular chlorine" }, "dbo:inchi": "InChI=1S/Cl2/c1-2" }, { "@id": "csc:JZQKKSLKJUAGIC-UHFFFAOYSA-N", "dbo:casNumber": [ "13523-86-9", "21870-06-4" ], "skos:prefLabel": { "@language": "nl", "@value": "pindolol" }, "@type": [ "skos:Concept", "dbo:ChemicalCompound", "dbo:ChemicalSubstance" ], "dbo:iupacName": { "@language": "en", "@value": "1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol" }, "rdfs:seeAlso": { "@id": "compound:4828" }, "skos:broader": { "@id": "csc:CHEMONTID_0002497" }, "dbp:inchikey": "InChIKey=JZQKKSLKJUAGIC-UHFFFAOYSA-N", "dbo:smiles": "CC(C)NCC(COC1=CC=CC2=C1C=CN2)O", "dbo:formula": "C14H20N2O2", "dbo:pubchem": { "@value": "4828", "@type": "xsd:int" }, "skos:notation": "pindll", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:inchi": "InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3" }, { "@id": "csc:KHSLHYAUZSPBIU-UHFFFAOYSA-M", "dbo:inchi": "InChI=1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1", "skos:broader": { "@id": "csc:CHEMONTID_0003976" }, "skos:notation": "DDBAB", "dbo:iupacName": { "@language": "en", "@value": "benzyl-dodecyl-dimethylazanium bromide" }, "dbp:inchikey": "InChIKey=KHSLHYAUZSPBIU-UHFFFAOYSA-M", "dbo:formula": "C21H38BrN", "skos:prefLabel": { "@language": "nl", "@value": "dodecyldimethylbenzylammoniumbromide" }, "rdfs:seeAlso": { "@id": "compound:23705" }, "dbo:casNumber": "7281-04-1", "dbo:smiles": "CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Br-]", "@type": [ "skos:Concept", "dbo:ChemicalSubstance", "dbo:ChemicalCompound" ], "dbo:pubchem": { "@value": "23705", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:casNumber": [ "139272-33-6", "79728-63-5", "68002-63-1", "112-02-7", "53023-95-3", "146909-27-5" ], "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "CCCCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]", "dbp:inchikey": "InChIKey=WOWHHFRSBJGXCM-UHFFFAOYSA-M", "dbo:pubchem": { "@value": "8154", "@type": "xsd:int" }, "dbo:formula": "C19H42ClN", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "hexadecyltrimethylammoniumchloride" }, "skos:broader": { "@id": "csc:CHEMONTID_0004225" }, "rdfs:seeAlso": { "@id": "compound:8154" }, "skos:notation": "C16ylTC1ylNH", "dbo:iupacName": { "@language": "en", "@value": "hexadecyl-trimethylazanium chloride" } }, { "@id": "csc:ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:smiles": "C1=CC=C(C=C1)C2=NNC(=CC2=O)Cl", "dbo:formula": "C10H7ClN2O", "dbp:inchikey": "InChIKey=ZUSHSDOEVHPTCU-UHFFFAOYSA-N", "skos:notation": "pyrdfl", "dbo:pubchem": { "@value": "92316", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "pyridafol" }, "rdfs:seeAlso": { "@id": "compound:92316" }, "dbo:casNumber": "40020-01-7", "dbo:iupacName": { "@language": "en", "@value": "6-chloro-3-phenyl-1H-pyridazin-4-one" }, "skos:broader": { "@id": "csc:CHEMONTID_0004147" }, "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)" }, { "@id": "csc:QXJKBPAVAHBARF-UHFFFAOYSA-N", "dbo:inchi": "InChI=1S/C13H11Cl2NO2/c1-12-6-13(12,2)11(18)16(10(12)17)9-4-7(14)3-8(15)5-9/h3-5H,6H2,1-2H3", "dbo:smiles": "CC12CC1(C(=O)N(C2=O)C3=CC(=CC(=C3)Cl)Cl)C", "skos:notation": "procmdn", "dbo:casNumber": [ "68444-90-6", "60120-20-9", "32809-16-8" ], "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "skos:prefLabel": { "@language": "nl", "@value": "procymidon" }, "dbo:pubchem": { "@value": "36242", "@type": "xsd:int" }, "rdfs:seeAlso": { "@id": "compound:36242" }, "dbp:inchikey": "InChIKey=QXJKBPAVAHBARF-UHFFFAOYSA-N", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:formula": "C13H11Cl2NO2", "skos:broader": { "@id": "csc:CHEMONTID_0000303" }, "dbo:iupacName": { "@language": "en", "@value": "3-(3,5-Dichlorophenyl)-1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione" } }, { "@id": "csc:XUKUURHRXDUEBC-KAYWLYCHSA-N", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "skos:broader": { "@id": "csc:CHEMONTID_0002695" }, "rdfs:seeAlso": { "@id": "compound:60823" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:iupacName": { "@language": "en", "@value": "(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid" }, "dbo:formula": "C33H35FN2O5", "dbo:casNumber": "134523-00-5", "dbo:inchi": "InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1", "dbo:smiles": "CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4", "dbp:inchikey": "InChIKey=XUKUURHRXDUEBC-KAYWLYCHSA-N", "dbo:pubchem": { "@value": "60823", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "atorvastatine" }, "skos:notation": "atvttne" }, { "@id": "csc:SUKJFIGYRHOWBL-UHFFFAOYSA-N", "dbo:casNumber": [ "7681-52-9", "227453-69-2", "8007-59-8", "56172-57-7" ], "dbo:formula": "ClNaO", "dbo:smiles": "[O-]Cl.[Na+]", "skos:prefLabel": { "@language": "nl", "@value": "natriumhypochloriet" }, "rdfs:seeAlso": { "@id": "compound:24340" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "SODIUM HYPOCHLORITE" }, "dbo:inchi": "InChI=1S/ClO.Na/c1-2;/q-1;+1", "skos:broader": { "@id": "csc:CHEMONTID_0000640" }, "skos:notation": "NaOCl", "dbo:pubchem": { "@value": "24340", "@type": "xsd:int" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=SUKJFIGYRHOWBL-UHFFFAOYSA-N" }, { "@id": "csc:RWGFKTVRMDUZSP-UHFFFAOYSA-N", "dbo:casNumber": [ "68333-89-1", "144637-93-4", "172867-64-0", "56748-62-0", "63849-49-0", 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}, "rdfs:comment": { "@language": "nl", "@value": "VLAR II bijl. 4.4.2" }, "dbo:inchi": "InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3", "skos:broader": { "@id": "csc:CHEMONTID_0000355" }, "rdfs:seeAlso": { "@id": "compound:7406" }, "skos:exactMatch": { "@id": "wise:CAS_98-82-8" }, "vcs:vmmParameterId": { "@value": "221", "@type": "xsd:int" }, "dbo:pubchem": { "@value": "7406", "@type": "xsd:int" }, "dbo:formula": "C9H12", "dbp:inchikey": "InChIKey=RWGFKTVRMDUZSP-UHFFFAOYSA-N" }, { "@id": "csc:CUONGYYJJVDODC-UHFFFAOYSA-N", "dbo:casNumber": [ "109-77-3", "144804-99-9" ], "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbp:inchikey": "InChIKey=CUONGYYJJVDODC-UHFFFAOYSA-N", "dbo:smiles": "C(C#N)C#N", "skos:prefLabel": { "@language": "nl", "@value": "malononitril" }, "dbo:formula": "C3H2N2", "skos:notation": "malnntl", "dbo:inchi": "InChI=1S/C3H2N2/c4-2-1-3-5/h1H2", "dbo:iupacName": { "@language": "en", "@value": "Propanedinitrile" }, "rdfs:seeAlso": { "@id": "compound:8010" }, "dbo:pubchem": { "@value": "8010", "@type": "xsd:int" }, "skos:broader": { "@id": "csc:CHEMONTID_0000362" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" } }, { "@id": "csc:GUBGYTABKSRVRQ-UHFFFAOYSA-N", "dbo:casNumber": [ "13360-52-6", "63-42-3", "69-79-4", "16462-44-5", "528-50-7" ], "dbp:inchikey": "InChIKey=GUBGYTABKSRVRQ-UHFFFAOYSA-N", "@type": [ "dbo:ChemicalCompound", "dbo:ChemicalSubstance", "skos:Concept" ], "skos:broader": { "@id": "csc:CHEMONTID_0002207" }, "dbo:iupacName": { "@language": "en", "@value": "2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol" }, "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:formula": "C12H22O11", "skos:notation": "lactse", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbo:pubchem": { "@value": "294", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "lactose" }, "rdfs:seeAlso": { "@id": "compound:294" }, "dbo:smiles": "C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O" }, { "@id": "csc:LLWADFLAOKUBDR-UHFFFAOYSA-N", "skos:altLabel": [ { "@language": "nl", "@value": "4-(4-chloor-2-methylfenoxy)boterzuur" }, { "@language": "nl", "@value": "4-(4-chloro-2-methylfenoxy)boterzuur (mcpb)" } ], "dbp:inchikey": "InChIKey=LLWADFLAOKUBDR-UHFFFAOYSA-N", "skos:notation": "MCPB", "skos:broader": { "@id": "csc:CHEMONTID_0002341" }, "skos:exactMatch": { "@id": "wise:CAS_94-81-5" }, "dbo:formula": "C11H13ClO3", "dbo:inchi": "InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)", "dbo:smiles": "CC1=C(C=CC(=C1)Cl)OCCCC(=O)O", "rdfs:seeAlso": { "@id": "compound:7207" }, "dbo:casNumber": "94-81-5", "skos:prefLabel": { "@language": "nl", "@value": "2-methyl-4-chloorfenoxyboterzuur" }, "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:iupacName": { "@language": "en", 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"InChI=1S/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7,11H,1-3H3", "dbo:pubchem": { "@value": "10364", "@type": "xsd:int" }, "dbo:formula": "C10H14O", "skos:notation": "5iC3y2C1yFol", "dbp:inchikey": "InChIKey=RECUKUPTGUEGMW-UHFFFAOYSA-N" }, { "@id": "csc:VAIZTNZGPYBOGF-UHFFFAOYSA-N", "rdfs:seeAlso": { "@id": "compound:50897" }, "dbo:casNumber": [ "69806-50-4", "86334-14-7" ], "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:broader": { "@id": "csc:CHEMONTID_0004677" }, "dbp:inchikey": "InChIKey=VAIZTNZGPYBOGF-UHFFFAOYSA-N", "dbo:smiles": "CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F", "skos:prefLabel": { "@language": "nl", "@value": "fluazifop-butyl" }, "@type": [ "dbo:ChemicalSubstance", "dbo:ChemicalCompound", "skos:Concept" ], "dbo:iupacName": { "@language": "en", "@value": "butyl 2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoate" }, "dbo:formula": "C19H20F3NO4", "skos:notation": "fluazfC4y", "dbo:pubchem": { "@value": "50897", "@type": "xsd:int" } }, { "@id": "csc:JANBFCARANRIKJ-UHFFFAOYSA-N", "dbo:formula": "C18H26O4", "@type": [ "dbo:ChemicalCompound", "skos:Concept", "dbo:ChemicalSubstance" ], "rdfs:seeAlso": { "@id": "compound:69059" }, "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", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "dbp:inchikey": "InChIKey=JANBFCARANRIKJ-UHFFFAOYSA-N", "dbo:smiles": "CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C", "dbo:casNumber": "605-50-5", "skos:broader": { "@id": "csc:CHEMONTID_0001350" }, "dbo:pubchem": { "@value": "69059", "@type": "xsd:int" }, "skos:prefLabel": { "@language": "nl", "@value": "di-isopentylftalaat" }, "dbo:iupacName": { "@language": "en", "@value": "bis(3-methylbutyl) benzene-1,2-dicarboxylate" } }, { "@id": "csc:OORLZFUTLGXMEF-UHFFFAOYSA-N", "dbo:casNumber": [ "111991-58-3", "122836-35-5" ], "dbo:formula": "C11H10Cl2F2N4O3S", "rdfs:seeAlso": { "@id": "compound:86369" }, "@type": [ "dbo:ChemicalSubstance", "skos:Concept", "dbo:ChemicalCompound" ], "dbo:smiles": "CC1=NN(C(=O)N1C(F)F)C2=C(C=C(C(=C2)NS(=O)(=O)C)Cl)Cl", "skos:inScheme": { "@id": "vlcs:chemische_stof" }, "skos:notation": "sulfntzn", "dbp:inchikey": "InChIKey=OORLZFUTLGXMEF-UHFFFAOYSA-N", "dbo:pubchem": { "@value": "86369", "@type": "xsd:int" }, "dbo:iupacName": { "@language": "en", "@value": "N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide" }, "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", "skos:prefLabel": { "@language": "nl", "@value": "sulfentrazon" }, "skos:broader": { "@id": "csc:CHEMONTID_0003314" } }, { "@id": "csc:LMKQNTMFZLAJDV-UHFFFAOYSA-N", "dbo:casNumber": "30125-63-4", "dbo:inchi": 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