[(E)-2-methyl-4-oxidanylidene-but-2-enyl] benzoate

Systemtic Name: [(E)-2-methyl-4-oxidanylidene-but-2-enyl] benzoate Openeye Name: [(E)-2-methyl-4-oxo-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-2-methyl-4-oxobut-2-enyl] ester IUPAC Name: [(E)-2-methyl-4-oxobut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-4-keto-2-methyl-but-2-enyl] ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC=O)COC(=O)C1=CC=CC=C1

Isomeric SMILES

C/C(=C\C=O)/COC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H12O3/c1-10(7-8-13)9-15-12(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3/b10-7+