2-ethanoyl-4-oxidanylidene-3-phenyl-pentanoic acid

Systemtic Name: 2-ethanoyl-4-oxidanylidene-3-phenyl-pentanoic acid Openeye Name: 2-acetyl-4-oxo-3-phenyl-pentanoic acid CAS Name: 2-acetyl-4-oxo-3-phenylpentanoic acid IUPAC Name: 2-acetyl-4-oxo-3-phenylpentanoic acid Traditional Name: 2-acetyl-4-keto-3-phenyl-valeric acid Formula: C13H14O4 MolecularWeight: 234.24786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O4/c1-8(14)11(10-6-4-3-5-7-10)12(9(2)15)13(16)17/h3-7,11-12H,1-2H3,(H,16,17)