methyl 2-(3-oxidanylidenebutanoyl)benzoate

Systemtic Name: methyl 2-(3-oxidanylidenebutanoyl)benzoate Openeye Name: methyl 2-(3-oxobutanoyl)benzoate CAS Name: 2-(1,3-dioxobutyl)benzoic acid methyl ester IUPAC Name: methyl 2-(3-oxobutanoyl)benzoate Traditional Name: 2-acetoacetylbenzoic acid methyl ester Formula: C12H12O4 MolecularWeight: 220.22128

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)C1=CC=CC=C1C(=O)OC

Isomeric SMILES

CC(=O)CC(=O)C1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C12H12O4/c1-8(13)7-11(14)9-5-3-4-6-10(9)12(15)16-2/h3-6H,7H2,1-2H3