2-benzyl-3-oxobutanedioate

Properties Image MNX_ID MNXM147721 reference metacycM:CPD-15325 formula C11H8O5 global charge -2 mol weight 220.18 InChIKey FQQOIIGFBAVLQP-UHFFFAOYSA-L InChI InChI=1S/C11H10O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H,15,16)/p-2 SMILES O=C([O-])C(=O)C(CC1=CC=CC=C1)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H10O5/c12-9(11(15)16)8(10(13)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H,15,16)/t8? SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:7]([CH2:6][CH:8]([C:9]([C:11]([OH:15])=[O:16])=[O:12])[C:10](=[O:13])[OH:14])[CH:5]=[CH:3]1

Parent-child relations graph

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