5-Chrysenecarboxylate

Properties Image MNX_ID MNXM14858 reference chebi:81633 formula C19H12O2 global charge 0 mol weight 272.303 InChIKey IWNPACVXSUBITM-UHFFFAOYSA-N InChI InChI=1S/C19H12O2/c20-19(21)17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1-11H,(H,20,21) SMILES O=C(O)C1=CC2=C(C=CC=C2)C2=CC=C3C=CC=CC3=C12 MNX internals InChI (mnx) InChI=1/C19H12O2/c20-19(21)17-11-13-6-2-3-7-14(13)16-10-9-12-5-1-4-8-15(12)18(16)17/h1-11H,(H,20,21) SMILES (mnx) [CH:1]1=[CH:4][CH:8]=[C:15]2[C:12](=[CH:5]1)[CH:9]=[CH:10][C:16]1=[C:18]2[C:17]([C:19](=[O:20])[OH:21])=[CH:11][C:13]2=[CH:6][CH:2]=[CH:3][CH:7]=[C:14]21

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0