Benzo(a)pyrene


Benzo(a)pyrene
DEDuCT identifierDED000576
Pubchem identifier2336
CAS identifier50-32-8
IUPAC nameBenzo(a)pyrene
Category based on type of supporting evidenceCategory II
Broad category based on environmental sourceIndustry, Pollutant, Intermediates, Agriculture and Farming, Consumer Products
Sub-category based on environmental sourceAutomotive, Construction, Environmental Pollutant, Industrial Intermediates, Lubricants, Minerals, Metals and Heavy Metal, Paints, Pesticide, Plasticizer, Poultry Feed, Stationery, Tobacco Products
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classPyrenes
SMILESC1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3
InChIInChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
InChIKeyFMMWHPNWAFZXNH-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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