3-oxidanyl-2-(phenylmethyl)pentanedioate

Systemtic Name: 3-oxidanyl-2-(phenylmethyl)pentanedioate Openeye Name: 2-benzyl-3-hydroxy-pentanedioate CAS Name: 3-hydroxy-2-(phenylmethyl)pentanedioate IUPAC Name: 2-benzyl-3-hydroxypentanedioate Traditional Name: 2-benzyl-3-hydroxy-glutarate Formula: C12H12O5-2 MolecularWeight: 236.22068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(CC(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(CC(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C12H14O5/c13-10(7-11(14)15)9(12(16)17)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H,14,15)(H,16,17)/p-2