[(E)-6-methyl-2-oxidanylidene-hept-3-en-4-yl] benzoate

Systemtic Name: [(E)-6-methyl-2-oxidanylidene-hept-3-en-4-yl] benzoate Openeye Name: [(E)-1-isobutyl-3-oxo-but-1-enyl] benzoate CAS Name: benzoic acid [(E)-6-methyl-2-oxohept-3-en-4-yl] ester IUPAC Name: [(E)-6-methyl-2-oxohept-3-en-4-yl] benzoate Traditional Name: benzoic acid [(E)-1-isobutyl-3-keto-but-1-enyl] ester Formula: C15H18O3 MolecularWeight: 246.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18O3/c1-11(2)9-14(10-12(3)16)18-15(17)13-7-5-4-6-8-13/h4-8,10-11H,9H2,1-3H3/b14-10+