4-[(4E,6E)-3-oxo-7-phenylhepta-4,6-dien-1-yl]cyclohexa-3,5-diene-1,2-dione

Properties Image MNX_ID MNXM10161 reference metacycM:CPD-12204 formula C19H16O3 global charge 0 mol weight 292.334 InChIKey ACTWFMHQVJBPRM-KBXRYBNXSA-N InChI InChI=1S/C19H16O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-9,11,13-14H,10,12H2/b8-4+,9-5+ SMILES O=C(/C=C/C=C/C1=CC=CC=C1)CCC1=CC(=O)C(=O)C=C1 MNX internals InChI (mnx) InChI=1/C19H16O3/c20-17(9-5-4-8-15-6-2-1-3-7-15)12-10-16-11-13-18(21)19(22)14-16/h1-9,11,13-14H,10,12H2/b8-4+,9-5+ SMILES (mnx) [CH:1]1=[CH:2][CH:6]=[C:15](/[CH:8]=[CH:4]/[CH:5]=[CH:9]/[C:17]([CH2:12][CH2:10][C:16]2=[CH:14][C:19](=[O:22])[C:18](=[O:21])[CH:13]=[CH:11]2)=[O:20])[CH:7]=[CH:3]1

Parent-child relations graph

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