BPDE
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
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