4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 4-(4-methoxy-3-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: 4-(4-methoxy-3-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate IUPAC Name: 4-(4-methoxy-3-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-3-methyl-phenyl)butyrate Formula: C12H13O4- MolecularWeight: 221.22922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)CCC(=O)[O-])OC

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)CCC(=O)[O-])OC

InChI

InChI=1S/C12H14O4/c1-8-7-9(3-5-11(8)16-2)10(13)4-6-12(14)15/h3,5,7H,4,6H2,1-2H3,(H,14,15)/p-1