benzylsuccinic acid

• benzylsuccinic acid
• bmse000695 - data

InCHi String:
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)

canonical and isomeric SMILES:
C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O


PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME
2-benzylbutanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-benzylsuccinic acid

PUBCHEM iupac SYSTEMATIC NAME
2-(phenylmethyl)butanedioic acid



PubChem Substance (SID):   10537435   24892039   17439402
PubChem Compound (CID):   3858
KEGG: Compound ID   n/a
CAS Registry IDs:   884-33-3
PDB Chemical Component   BZS
Miscellaneous Databases and IDs:   Sigma-Aldrich B8011_SIGMA   ChEBI CHEBI:16054   PDSP nsc20708   NIST Chemistry WebBook 4014780189   NIST 4014780189   MMCD cq_06487   MDL MFCD00055798