5-[2-[(1E,3E)-5-acetyloxypentadeca-1,3-dienyl]phenyl]pentanoic acid

Systemtic Name: 5-[2-[(1E,3E)-5-acetyloxypentadeca-1,3-dienyl]phenyl]pentanoic acid Openeye Name: 5-[2-[(1E,3E)-5-acetoxypentadeca-1,3-dienyl]phenyl]pentanoic acid CAS Name: 5-[2-[(1E,3E)-5-acetyloxypentadeca-1,3-dienyl]phenyl]pentanoic acid IUPAC Name: 5-[2-[(1E,3E)-5-acetyloxypentadeca-1,3-dienyl]phenyl]pentanoic acid Traditional Name: 5-[2-[(1E,3E)-5-acetoxypentadeca-1,3-dienyl]phenyl]valeric acid Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C=CC=CC1=CC=CC=C1CCCCC(=O)O)OC(=O)C

Isomeric SMILES

CCCCCCCCCCC(/C=C/C=C/C1=CC=CC=C1CCCCC(=O)O)OC(=O)C

InChI

InChI=1S/C28H42O4/c1-3-4-5-6-7-8-9-10-21-27(32-24(2)29)22-15-13-19-25-17-11-12-18-26(25)20-14-16-23-28(30)31/h11-13,15,17-19,22,27H,3-10,14,16,20-21,23H2,1-2H3,(H,30,31)/b19-13+,22-15+