BPDE

Molecular Formula: C20H14O3


InChI: InChI=1/C20H14O3/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/h1-8,17-22H

InChIKey: InChIKey=DQEPMTIXHXSFOR-UHFFFAOYAD
SMILES: OC1C2OC2C3=C(C=C4C=CC5=C6C(=CC=C5)C=CC3=C46)C1O

CAS number 58917-67-2

Names:
    benzo(a)pyrene diolepoxide I
    Benzo(a)pyrene diol epoxide
    benzo[a]pyrene diol epoxide I
    BPDE
    BP 7,8-Diol-9,10-epoxide 2
    1,2-Epoxy-3,4-dihydroxycyclohexano[a]pyrene, (3s,4s-)

Registries:
    PubChem CID 41322
    Beilstein =1353131
    CAS 58917-67-2 (from NIST)
    ChEBI 30614
    PubChem ID 10474637