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3-methylbenzylsuccinate(2-)

PropertiesImage
MNX_IDMNXM9415 Image of MNXM9415
referencechebi:191236
formulaC12H12O4
global charge-2
mol weight220.224
InChIKeyOHQFGTDAUDLCBG-UHFFFAOYSA-L
InChIInChI=1S/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)/p-2
SMILESCC1=CC=CC(CC(CC(=O)[O-])C(=O)[O-])=C1
MNX internals
InChI (mnx)InChI=1/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,16)/t10? Image of MNXM9415
SMILES (mnx)[CH3:1][C:8]1=[CH:5][C:9]([CH2:6][CH:10]([CH2:7][C:11](=[O:13])[OH:14])[C:12](=[O:15])[OH:16])=[CH:4][CH:2]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:191236
chebi:191236
OHQFGTDAUDLCBG-UHFFFAOYSA-L 		3-methylbenzylsuccinate(2-)
(3-methylbenzyl)butanedioate
(3-methylbenzyl)succinate
2-(3-methylbenzyl)butanedioate
2-[(3-methylphenyl)methyl]butanedioate
3-methylbenzylsuccinate
3-methylbenzylsuccinic acid dianion

metacyc.compound:3-METHYLBENZYLSUCCINATE
metacycM:3-METHYLBENZYLSUCCINATE
seed.compound:cpd22030
seedM:cpd22030
OHQFGTDAUDLCBG-UHFFFAOYSA-L 		(3-methylbenzyl)succinate
3-methylbenzylsuccinate

CHEBI:191372
chebi:191372
OHQFGTDAUDLCBG-UHFFFAOYSA-N 		3-methylbenzylsuccinic acid
(3-methylbenzyl)butanedioic acid
(3-methylbenzyl)succinic acid
2-(3-methylbenzyl)butanedioic acid
2-(3-methylbenzyl)succinic acid
2-[(3-methylphenyl)methyl]butanedioic acid
m-methylbenzylsuccinic acid

seedM:M_cpd22030 		secondary/obsolete/fantasy identifier