2-oxidanylidene-4-(phenylmethyl)pentanedioic acid

Systemtic Name: 2-oxidanylidene-4-(phenylmethyl)pentanedioic acid Openeye Name: 2-benzyl-4-oxo-pentanedioic acid CAS Name: 2-oxo-4-(phenylmethyl)pentanedioic acid IUPAC Name: 2-benzyl-4-oxopentanedioic acid Traditional Name: 2-benzyl-4-keto-glutaric acid Formula: C12H12O5 MolecularWeight: 236.22068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)(H,16,17)