[(E)-4-methyl-5-oxidanylidene-pent-3-en-2-yl] benzoate

Systemtic Name: [(E)-4-methyl-5-oxidanylidene-pent-3-en-2-yl] benzoate Openeye Name: [(E)-1,3-dimethyl-4-oxo-but-2-enyl] benzoate CAS Name: benzoic acid [(E)-4-methyl-5-oxopent-3-en-2-yl] ester IUPAC Name: [(E)-4-methyl-5-oxopent-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E)-4-keto-1,3-dimethyl-but-2-enyl] ester Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-10(9-14)8-11(2)16-13(15)12-6-4-3-5-7-12/h3-9,11H,1-2H3/b10-8+