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2-benzylsuccinate(2-)

PropertiesImage
MNX_IDMNXM1586496 Image of MNXM1586496
referencechebi:57621
formulaC11H10O4
global charge-2
mol weight206.197
InChIKeyGTOFKXZQQDSVFH-UHFFFAOYSA-L
InChIInChI=1S/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/p-2
SMILESO=C([O-])CC(Cc1ccccc1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)/t9? Image of MNXM1586496
SMILES (mnx)[cH:1]1[cH:2][cH:4][c:8]([CH2:6][CH:9]([CH2:7][C:10]([OH:12])=[O:13])[C:11]([OH:14])=[O:15])[cH:5][cH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57621
chebi:57621
GTOFKXZQQDSVFH-UHFFFAOYSA-L 		2-benzylsuccinate(2-)
2-benzylbutanedioate
2-benzylsuccinate
2-benzylsuccinate dianion

CHEBI:16054
chebi:16054
GTOFKXZQQDSVFH-UHFFFAOYSA-N 		2-benzylsuccinic acid
(phenylmethyl)butanedioic acid
2-benzylbutanedioic acid
Benzylsuccinate
D,L-Benzylsuccinic Acid
alpha-benzylsuccinic acid
benzylsuccinic acid
beta-carboxybenzenebutanoic acid

envipath:...70ca82f8461d
envipathM:...70ca82f8461d
GTOFKXZQQDSVFH-UHFFFAOYSA-L 		Benzylsuccinate

envipath:...347cbdee240c
envipathM:...347cbdee240c
GTOFKXZQQDSVFH-UHFFFAOYSA-L 		compound 0044816

chebi:13891
chebi:22751
chebi:28962
chebi:3059 		secondary/obsolete/fantasy identifier