2,6-dioxo-6-phenylhexanoate

Properties Image MNX_ID MNXM4272 reference chebi:57479 formula C12H11O4 global charge -1 mol weight 219.216 InChIKey WHAWELFEJQCZFJ-UHFFFAOYSA-M InChI InChI=1S/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)/p-1 SMILES O=C([O-])C(=O)CCCC(=O)C1=CC=CC=C1 MNX internals InChI (mnx) InChI=1/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16) SMILES (mnx) [CH:1]1=[CH:2][CH:5]=[C:9]([C:10]([CH2:7][CH2:4][CH2:8][C:11]([C:12]([OH:15])=[O:16])=[O:14])=[O:13])[CH:6]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0