4-(2-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(2-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(o-tolyl)-4-oxo-butanoate CAS Name: 4-(2-methylphenyl)-4-oxobutanoate IUPAC Name: 4-(2-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(o-tolyl)butyrate Formula: C11H11O3- MolecularWeight: 191.20324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H12O3/c1-8-4-2-3-5-9(8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)/p-1