[(2E,4E,6S)-1-oxidanylideneundeca-2,4-dien-6-yl] benzoate

Systemtic Name: [(2E,4E,6S)-1-oxidanylideneundeca-2,4-dien-6-yl] benzoate Openeye Name: [(1S,2E,4E)-6-oxo-1-pentyl-hexa-2,4-dienyl] benzoate CAS Name: benzoic acid [(2E,4E,6S)-1-oxoundeca-2,4-dien-6-yl] ester IUPAC Name: [(2E,4E,6S)-1-oxoundeca-2,4-dien-6-yl] benzoate Traditional Name: benzoic acid [(1S,2E,4E)-1-amyl-6-keto-hexa-2,4-dienyl] ester Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3/c1-2-3-6-13-17(14-9-5-10-15-19)21-18(20)16-11-7-4-8-12-16/h4-5,7-12,14-15,17H,2-3,6,13H2,1H3/b10-5+,14-9+/t17-/m0/s1