butanoate; 2-(2-ethanoylphenyl)-2-oxidanylidene-ethanoic acid

Systemtic Name: butanoate; 2-(2-ethanoylphenyl)-2-oxidanylidene-ethanoic acid Openeye Name: 2-(2-acetylphenyl)-2-oxo-acetic acid; butanoate CAS Name: 2-(2-acetylphenyl)-2-oxoacetic acid; butanoate IUPAC Name: 2-(2-acetylphenyl)-2-oxoacetic acid; butanoate Traditional Name: 2-(2-acetylphenyl)-2-keto-acetic acid; butyrate Formula: C14H15O6- MolecularWeight: 279.2653

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC(=O)C1=CC=CC=C1C(=O)C(=O)O

Isomeric SMILES

CCCC(=O)[O-].CC(=O)C1=CC=CC=C1C(=O)C(=O)O

InChI

InChI=1S/C10H8O4.C4H8O2/c1-6(11)7-4-2-3-5-8(7)9(12)10(13)14;1-2-3-4(5)6/h2-5H,1H3,(H,13,14);2-3H2,1H3,(H,5,6)/p-1