[(2E,6Z,9Z)-1-oxidanylidenepentadeca-2,6,9-trien-4-yl] benzoate

Systemtic Name: [(2E,6Z,9Z)-1-oxidanylidenepentadeca-2,6,9-trien-4-yl] benzoate Openeye Name: [(3Z,6Z)-1-[(E)-3-oxoprop-1-enyl]dodeca-3,6-dienyl] benzoate CAS Name: benzoic acid [(2E,6Z,9Z)-1-oxopentadeca-2,6,9-trien-4-yl] ester IUPAC Name: [(2E,6Z,9Z)-1-oxopentadeca-2,6,9-trien-4-yl] benzoate Traditional Name: benzoic acid [(3Z,6Z)-1-[(E)-3-ketoprop-1-enyl]dodeca-3,6-dienyl] ester Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O3/c1-2-3-4-5-6-7-8-9-13-17-21(18-14-19-23)25-22(24)20-15-11-10-12-16-20/h6-7,9-16,18-19,21H,2-5,8,17H2,1H3/b7-6-,13-9-,18-14+