Dibenzo[a,l]pyrene-11,12-epoxide

Properties Image MNX_ID MNXM162957 reference biggM:CN0017 formula C24H14O global charge 0 mol weight 318.375 InChIKey JQVOOYGHXVJTHM-UHFFFAOYSA-N InChI InChI=1S/C24H14O/c1-2-6-17-15(5-1)16-7-3-4-13-8-9-14-12-19-18(10-11-20-24(19)25-20)23(17)22(14)21(13)16/h1-12,20,24H SMILES C1=CC2=C(C=C1)C1=C3C(=CC4=C1C=CC1OC41)C=CC1=CC=CC2=C13 MNX internals InChI (mnx) InChI=1/C24H14O/c1-2-6-17-15(5-1)16-7-3-4-13-8-9-14-12-19-18(10-11-20-24(19)25-20)23(17)22(14)21(13)16/h1-12,20,24H/t20?,24? SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:17]2[C:15](=[CH:5]1)[C:16]1=[CH:7][CH:3]=[CH:4][C:13]3=[C:21]1[C:22]1=[C:14]([CH:9]=[CH:8]3)[CH:12]=[C:19]3[C:18](=[C:23]21)[CH:10]=[CH:11][CH:20]1[CH:24]3[O:25]1

Parent-child relations graph

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