4-Chrysenecarboxylate

Properties Image MNX_ID MNXM14731 reference chebi:81634 formula C19H12O2 global charge 0 mol weight 272.303 InChIKey VIHCWMSLKDZZNU-UHFFFAOYSA-N InChI InChI=1S/C19H12O2/c20-19(21)17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11H,(H,20,21) SMILES O=C(O)C1=CC=CC2=CC=C3C4=C(C=CC=C4)C=CC3=C21 MNX internals InChI (mnx) InChI=1/C19H12O2/c20-19(21)17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11H,(H,20,21) SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:14]2[C:12](=[CH:4]1)[CH:8]=[CH:11][C:16]1=[C:18]3[C:13](=[CH:9][CH:10]=[C:15]21)[CH:5]=[CH:3][CH:7]=[C:17]3[C:19](=[O:20])[OH:21]

Parent-child relations graph

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