Benzo[a]pyrene-11,12-epoxide

Properties Image MNX_ID MNXM10782 reference chebi:81637 formula C20H12O global charge 0 mol weight 268.315 InChIKey ISBWKKKMLFVMHH-UHFFFAOYSA-N InChI InChI=1S/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H SMILES C1=CC2=C(C=C1)C1=C3C(=C2)C=CC2=CC=CC(=C23)C2OC12 MNX internals InChI (mnx) InChI=1/C20H12O/c1-2-6-14-12(4-1)10-13-9-8-11-5-3-7-15-16(11)17(13)18(14)20-19(15)21-20/h1-10,19-20H/t19?,20? SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:14]2[C:12](=[CH:4]1)[CH:10]=[C:13]1[CH:9]=[CH:8][C:11]3=[C:16]4[C:15](=[CH:7][CH:3]=[CH:5]3)[CH:19]3[CH:20]([C:18]2=[C:17]14)[O:21]3

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0