2-(4-methylphenyl)carbonylbutanoate

Systemtic Name: 2-(4-methylphenyl)carbonylbutanoate Openeye Name: 2-(4-methylbenzoyl)butanoate CAS Name: 2-[(4-methylphenyl)-oxomethyl]butanoate IUPAC Name: 2-(4-methylbenzoyl)butanoate Traditional Name: 2-p-toluoylbutyrate Formula: C12H13O3- MolecularWeight: 205.22982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=C(C=C1)C)C(=O)[O-]

Isomeric SMILES

CCC(C(=O)C1=CC=C(C=C1)C)C(=O)[O-]

InChI

InChI=1S/C12H14O3/c1-3-10(12(14)15)11(13)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3,(H,14,15)/p-1