[(1E,3E)-1-[2-(5-oxidanylpentyl)phenyl]trideca-1,3-dien-5-yl] ethanoate

Systemtic Name: [(1E,3E)-1-[2-(5-oxidanylpentyl)phenyl]trideca-1,3-dien-5-yl] ethanoate Openeye Name: 1-[(1E,3E)-4-[2-(5-hydroxypentyl)phenyl]buta-1,3-dienyl]nonyl acetate CAS Name: acetic acid [(1E,3E)-1-[2-(5-hydroxypentyl)phenyl]trideca-1,3-dien-5-yl] ester IUPAC Name: [(1E,3E)-1-[2-(5-hydroxypentyl)phenyl]trideca-1,3-dien-5-yl] acetate Traditional Name: acetic acid [(2E,4E)-5-[2-(5-hydroxypentyl)phenyl]-1-octyl-penta-2,4-dienyl] ester Formula: C26H40O3 MolecularWeight: 400.594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1CCCCCO)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1CCCCCO)OC(=O)C

InChI

InChI=1S/C26H40O3/c1-3-4-5-6-7-10-20-26(29-23(2)28)21-14-13-19-25-18-12-11-17-24(25)16-9-8-15-22-27/h11-14,17-19,21,26-27H,3-10,15-16,20,22H2,1-2H3/b19-13+,21-14+