syn-BP-diolepoxide
Molecular Formula:
C
20
H
14
O
3
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/t17-,18+,19-,20+/m0/s1
InChIKey:
InChIKey=DQEPMTIXHXSFOR-ZGXWSNOMBL
SMILES:
C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C(C5O)O)C=C2
Names:
BPDE II
BPDE-syn
BRN 4237437
B(a)P epoxide I
CCRIS 796
syn-Benzo(a)pyrene-diolepoxide
syn-Benzo(a)pyrene-7,8-diol-9,10-oxide
syn-BP-diolepoxide
(+/-)-syn-BPDE
5-17-05-00496 (Beilstein Handbook Reference)
Registries:
PubChem CID 42879
PubChem ID 183359