U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12O4
Molecular Weight 208.2106
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Benzylsuccinic acid, (S)-

SMILES

OC(=O)C[C@H](CC1=CC=CC=C1)C(O)=O

InChI

InChIKey=GTOFKXZQQDSVFH-VIFPVBQESA-N
InChI=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)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H12O4
Molecular Weight 208.2106
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:58:26 GMT 2025
Edited
by admin
on Mon Mar 31 22:58:26 GMT 2025
Record UNII
RNQ8V6JSJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-Benzylsuccinic acid
Preferred Name English
2-Benzylsuccinic acid, (S)-
Common Name English
2(S)-Benzyl-3-carboxypropionic acid
Systematic Name English
(S)-2-Benzylsuccinic acid
Common Name English
Butanedioic acid, (phenylmethyl)-, (S)-
Systematic Name English
Butanedioic acid, 2-(phenylmethyl)-, (2S)-
Systematic Name English
(2S)-2-BENZYLBUTANEDIOIC ACID
Common Name English
(2S)-2-(Phenylmethyl)butanedioic acid
Systematic Name English
L-(-)-Benzylsuccinic acid
Common Name English
(S)-Benzylsuccinic acid
Common Name English
Butanedioic acid, (phenylmethyl)-, (2S)-
Systematic Name English
2-(Phenylmethyl)butanedioic acid, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
RNQ8V6JSJ7
Created by admin on Mon Mar 31 22:58:26 GMT 2025 , Edited by admin on Mon Mar 31 22:58:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID2050405
Created by admin on Mon Mar 31 22:58:26 GMT 2025 , Edited by admin on Mon Mar 31 22:58:26 GMT 2025
PRIMARY
PUBCHEM
446168
Created by admin on Mon Mar 31 22:58:26 GMT 2025 , Edited by admin on Mon Mar 31 22:58:26 GMT 2025
PRIMARY
CAS
3972-36-9
Created by admin on Mon Mar 31 22:58:26 GMT 2025 , Edited by admin on Mon Mar 31 22:58:26 GMT 2025
PRIMARY