BENZO(a)PYRENE, 7,8-DIHYDRO-7,8-DIHYDROXY-9,10-EPOXY-

7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide 7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno (3,4-b)oxirene-7,8-diol. A benzopyrene derivative with carcinogenic and mutagenic activity.

Molecular Formula: C₂₀H₁₂O₃

InChI: InChI=1/C20H12O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-18,21-22H

InChIKey: InChIKey=CTXVUJJABIHCFU-UHFFFAOYAR
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6=C(O6)C(C5O)O)C=C2

Names:
    Benzo(a)pyrene 7,8-dihydrodiol-9,10-epoxide
    BENZO(a)PYRENE, 7,8-DIHYDRO-7,8-DIHYDROXY-9,10-EPOXY-
    Benzo(a)pyrene-7,8-dihydrodiol-9,10-epoxide
    7,8-Dihydroxy-9,10-epoxy-7,8-dihydrobenzo(a)pyrene
    7,8-Dihydro-7,8-dihydroxybenzo(a)pyrene 9,10-oxide
    72485-26-8

Registries:
    PubChem CID 51604
    PubChem ID 189775