[(1E,3E)-1-[3-(1-acetyloxy-5-oxidanylidene-pentyl)phenyl]trideca-1,3-dien-5-yl] ethanoate

Systemtic Name: [(1E,3E)-1-[3-(1-acetyloxy-5-oxidanylidene-pentyl)phenyl]trideca-1,3-dien-5-yl] ethanoate Openeye Name: 1-[(1E,3E)-4-[3-(1-acetoxy-5-oxo-pentyl)phenyl]buta-1,3-dienyl]nonyl acetate CAS Name: acetic acid [(1E,3E)-1-[3-(1-acetyloxy-5-oxopentyl)phenyl]trideca-1,3-dien-5-yl] ester IUPAC Name: [(1E,3E)-1-[3-(1-acetyloxy-5-oxopentyl)phenyl]trideca-1,3-dien-5-yl] acetate Traditional Name: acetic acid [(2E,4E)-5-[3-(1-acetoxy-5-keto-pentyl)phenyl]-1-octyl-penta-2,4-dienyl] ester Formula: C28H40O5 MolecularWeight: 456.6142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC(=CC=C1)C(CCCC=O)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC(=CC=C1)C(CCCC=O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H40O5/c1-4-5-6-7-8-9-18-27(32-23(2)30)19-11-10-15-25-16-14-17-26(22-25)28(33-24(3)31)20-12-13-21-29/h10-11,14-17,19,21-22,27-28H,4-9,12-13,18,20H2,1-3H3/b15-10+,19-11+