4-oxidanylidene-2-(phenylcarbonyl)pentanoic acid

Systemtic Name: 4-oxidanylidene-2-(phenylcarbonyl)pentanoic acid Openeye Name: 2-benzoyl-4-oxo-pentanoic acid CAS Name: 2-benzoyl-4-oxopentanoic acid IUPAC Name: 2-benzoyl-4-oxopentanoic acid Traditional Name: 2-benzoyl-4-keto-valeric acid Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O4/c1-8(13)7-10(12(15)16)11(14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,15,16)