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

Systemtic Name: [(1E,3E)-1-[2-(1-acetyloxy-5-oxidanyl-pentyl)phenyl]trideca-1,3-dien-5-yl] ethanoate Openeye Name: 1-[(1E,3E)-4-[2-(1-acetoxy-5-hydroxy-pentyl)phenyl]buta-1,3-dienyl]nonyl acetate CAS Name: acetic acid [(1E,3E)-1-[2-(1-acetyloxy-5-hydroxypentyl)phenyl]trideca-1,3-dien-5-yl] ester IUPAC Name: [(1E,3E)-1-[2-(1-acetyloxy-5-hydroxypentyl)phenyl]trideca-1,3-dien-5-yl] acetate Traditional Name: acetic acid [(2E,4E)-5-[2-(1-acetoxy-5-hydroxy-pentyl)phenyl]-1-octyl-penta-2,4-dienyl] ester Formula: C28H42O5 MolecularWeight: 458.63008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1C(CCCCO)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1C(CCCCO)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H42O5/c1-4-5-6-7-8-9-18-26(32-23(2)30)19-12-10-16-25-17-11-13-20-27(25)28(33-24(3)31)21-14-15-22-29/h10-13,16-17,19-20,26,28-29H,4-9,14-15,18,21-22H2,1-3H3/b16-10+,19-12+