[(E,4S)-1-oxidanylideneundec-2-en-4-yl] benzoate

Systemtic Name: [(E,4S)-1-oxidanylideneundec-2-en-4-yl] benzoate Openeye Name: [(1S)-1-[(E)-3-oxoprop-1-enyl]octyl] benzoate CAS Name: benzoic acid [(E,4S)-1-oxoundec-2-en-4-yl] ester IUPAC Name: [(E,4S)-1-oxoundec-2-en-4-yl] benzoate Traditional Name: benzoic acid [(E,1S)-1-heptyl-4-keto-but-2-enyl] ester Formula: C18H24O3 MolecularWeight: 288.38136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC[C@@H](/C=C/C=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C18H24O3/c1-2-3-4-5-9-13-17(14-10-15-19)21-18(20)16-11-7-6-8-12-16/h6-8,10-12,14-15,17H,2-5,9,13H2,1H3/b14-10+/t17-/m0/s1