methyl 4-(4-oxidanylidenebutan-2-yl)benzoate

Systemtic Name: methyl 4-(4-oxidanylidenebutan-2-yl)benzoate Openeye Name: methyl 4-(1-methyl-3-oxo-propyl)benzoate CAS Name: 4-(4-oxobutan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-oxobutan-2-yl)benzoate Traditional Name: 4-(3-keto-1-methyl-propyl)benzoic acid methyl ester Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(CC=O)C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C12H14O3/c1-9(7-8-13)10-3-5-11(6-4-10)12(14)15-2/h3-6,8-9H,7H2,1-2H3