3-(phenylmethyl)pentanedioate

Systemtic Name: 3-(phenylmethyl)pentanedioate Openeye Name: 3-benzylpentanedioate CAS Name: 3-(phenylmethyl)pentanedioate IUPAC Name: 3-benzylpentanedioate Traditional Name: 3-benzylglutarate Formula: C12H12O4-2 MolecularWeight: 220.22128

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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)/p-2