2-ethanoyl-3-(3-methylphenyl)-4-oxidanylidene-hexanoic acid

Systemtic Name: 2-ethanoyl-3-(3-methylphenyl)-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(m-tolyl)-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(3-methylphenyl)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(3-methylphenyl)-4-oxohexanoic acid Traditional Name: 2-acetyl-4-keto-3-(m-tolyl)hexanoic acid Formula: C15H18O4 MolecularWeight: 262.30102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O4/c1-4-12(17)14(13(10(3)16)15(18)19)11-7-5-6-9(2)8-11/h5-8,13-14H,4H2,1-3H3,(H,18,19)