2-Hydroxybenzo[a]pyrene

Properties Image MNX_ID MNXM35144 reference chebi:34286 formula C20H12O global charge 0 mol weight 268.315 InChIKey KAXJMEFTXJWMLE-UHFFFAOYSA-N InChI InChI=1S/C20H12O/c21-16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11,21H SMILES OC1=CC2=CC=C3C4=C(C=CC=C4)C=C4C=CC(=C1)C2=C43 MNX internals InChI (mnx) InChI=1/C20H12O/c21-16-10-14-6-5-13-9-12-3-1-2-4-17(12)18-8-7-15(11-16)19(14)20(13)18/h1-11,21H SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:17]2[C:12](=[CH:3]1)[CH:9]=[C:13]1[CH:5]=[CH:6][C:14]3=[CH:10][C:16]([OH:21])=[CH:11][C:15]4=[CH:7][CH:8]=[C:18]2[C:20]1=[C:19]34

Parent-child relations graph

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