Benzo[a]pyrene-2,3-oxide

Properties Image MNX_ID MNXM162933 reference biggM:CN0012 formula C20H12O global charge 0 mol weight 268.315 InChIKey HIWUMYIKMBIYMX-UHFFFAOYSA-N InChI InChI=1S/C20H12O/c1-2-4-14-11(3-1)9-12-6-8-16-19-13(10-17-20(16)21-17)5-7-15(14)18(12)19/h1-10,17,20H SMILES C1=CC2=C(C=C1)C1=C3C(=C2)C=CC2=C3C(=CC3OC23)C=C1 MNX internals InChI (mnx) InChI=1/C20H12O/c1-2-4-14-11(3-1)9-12-6-8-16-19-13(10-17-20(16)21-17)5-7-15(14)18(12)19/h1-10,17,20H/t17?,20? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:14]2[C:11](=[CH:3]1)[CH:9]=[C:12]1[CH:6]=[CH:8][C:16]3=[C:19]4[C:13](=[CH:10][CH:17]5[CH:20]3[O:21]5)[CH:5]=[CH:7][C:15]2=[C:18]14

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 5