[(E)-2,3-dimethyl-4-oxidanylidene-but-2-enyl] benzoate

Systemtic Name: [(E)-2,3-dimethyl-4-oxidanylidene-but-2-enyl] benzoate Openeye Name: [(E)-2,3-dimethyl-4-oxo-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-2,3-dimethyl-4-oxobut-2-enyl] ester IUPAC Name: [(E)-2,3-dimethyl-4-oxobut-2-enyl] benzoate Traditional Name: benzoic acid [(E)-4-keto-2,3-dimethyl-but-2-enyl] ester Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-10(8-14)11(2)9-16-13(15)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b11-10+