3-(phenylmethyl)pentanedioic acid

Systemtic Name: 3-(phenylmethyl)pentanedioic acid Openeye Name: 3-benzylpentanedioic acid CAS Name: 3-(phenylmethyl)pentanedioic acid IUPAC Name: 3-benzylpentanedioic acid Traditional Name: 3-benzylglutaric acid Formula: C12H14O4 MolecularWeight: 222.23716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(=O)O)CC(=O)O

InChI

InChI=1S/C12H14O4/c13-11(14)7-10(8-12(15)16)6-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)(H,15,16)