Benzo[a]pyrene-7,8-oxide

Properties Image MNX_ID MNXM7105 reference chebi:34563 formula C20H12O global charge 0 mol weight 268.315 InChIKey OLLMQFHYRYHKTD-UHFFFAOYSA-N InChI InChI=1S/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H SMILES C1=CC2=CC=C3C4=C(C=C5C=CC(=C1)C2=C53)C1OC1C=C4 MNX internals InChI (mnx) InChI=1/C20H12O/c1-2-11-4-5-13-10-16-14(8-9-17-20(16)21-17)15-7-6-12(3-1)18(11)19(13)15/h1-10,17,20H/t17?,20? SMILES (mnx) [CH:1]1=[CH:2][C:11]2=[CH:4][CH:5]=[C:13]3[CH:10]=[C:16]4[C:14](=[C:15]5[CH:7]=[CH:6][C:12](=[CH:3]1)[C:18]2=[C:19]35)[CH:8]=[CH:9][CH:17]1[CH:20]4[O:21]1

Parent-child relations graph

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