[(E)-1-oxidanylidenenon-2-en-4-yl] benzoate

Systemtic Name: [(E)-1-oxidanylidenenon-2-en-4-yl] benzoate Openeye Name: 1-[(E)-3-oxoprop-1-enyl]hexyl benzoate CAS Name: benzoic acid [(E)-1-oxonon-2-en-4-yl] ester IUPAC Name: [(E)-1-oxonon-2-en-4-yl] benzoate Traditional Name: benzoic acid [(E)-1-amyl-4-keto-but-2-enyl] ester Formula: C16H20O3 MolecularWeight: 260.3282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20O3/c1-2-3-5-11-15(12-8-13-17)19-16(18)14-9-6-4-7-10-14/h4,6-10,12-13,15H,2-3,5,11H2,1H3/b12-8+