1-Phenyl-1,3-heptadecanedione

Properties Image MNX_ID MNXM116031 reference hmdb:HMDB0035582 formula C23H36O2 global charge 0 mol weight 344.539 InChIKey IPZRZZFTWQQXIU-UHFFFAOYSA-N InChI InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3 SMILES CCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3 SMILES (mnx) [CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:16][CH2:19][C:22]([CH2:20][C:23]([C:21]1=[CH:17][CH:14]=[CH:13][CH:15]=[CH:18]1)=[O:25])=[O:24]

Parent-child relations graph

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