2-(3-oxidanylidene-1-phenyl-butyl)propanedioic acid

Systemtic Name: 2-(3-oxidanylidene-1-phenyl-butyl)propanedioic acid Openeye Name: 2-(3-oxo-1-phenyl-butyl)propanedioic acid CAS Name: 2-(3-oxo-1-phenylbutyl)propanedioic acid IUPAC Name: 2-(3-oxo-1-phenylbutyl)propanedioic acid Traditional Name: 2-(3-keto-1-phenyl-butyl)malonic acid Formula: C13H14O5 MolecularWeight: 250.24726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O5/c1-8(14)7-10(9-5-3-2-4-6-9)11(12(15)16)13(17)18/h2-6,10-11H,7H2,1H3,(H,15,16)(H,17,18)