3-methylcholanthrene

Properties Image MNX_ID MNXM36636 reference chebi:34342 formula C21H16 global charge 0 mol weight 268.359 InChIKey PPQNQXQZIWHJRB-UHFFFAOYSA-N InChI InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3 SMILES CC1=CC=C2C=C3C4=C(C=CC=C4)C=CC3=C3CCC1=C23 MNX internals InChI (mnx) InChI=1/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3 SMILES (mnx) [CH3:1][C:13]1=[CH:6][CH:7]=[C:15]2[CH:12]=[C:20]3[C:17]4=[CH:5][CH:3]=[CH:2][CH:4]=[C:14]4[CH:8]=[CH:9][C:18]3=[C:19]3[CH2:11][CH2:10][C:16]1=[C:21]23

Parent-child relations graph

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