benzo[a]pyrene-4,5-oxide

Chemical Formula:

C₂₀H₁₂O

Molecular Weight:

268.314 Daltons

Monoisotopic Mass:

268.0888150073 Daltons

SMILES:

C6(C=CC2(C(=CC3(C1(OC1C4(=CC=CC5(C=CC=2C=3C4=5)))))C=6))

InChI:

1S/C20H12O/c1-2-6-13-12(4-1)10-16-18-14(13)9-8-11-5-3-7-15(17(11)18)19-20(16)21-19/h1-10,19-20H

InChIKey:

XGZQLNASOQVQTD-UHFFFAOYSA-N

Databases

MetaCyc: CPD-20309

PubChem (CID): 37786

KEGG: C14851

ChEBI: 34560