5-acetyloxy-5-[3-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]phenyl]pentanoic acid

Systemtic Name: 5-acetyloxy-5-[3-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]phenyl]pentanoic acid Openeye Name: 5-acetoxy-5-[3-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]phenyl]pentanoic acid CAS Name: 5-acetyloxy-5-[3-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]phenyl]pentanoic acid IUPAC Name: 5-acetyloxy-5-[3-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]phenyl]pentanoic acid Traditional Name: 5-acetoxy-5-[3-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]phenyl]valeric acid Formula: C28H40O6 MolecularWeight: 472.6136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O6/c1-4-5-6-7-8-9-17-26(33-22(2)29)18-11-10-14-24-15-12-16-25(21-24)27(34-23(3)30)19-13-20-28(31)32/h10-12,14-16,18,21,26-27H,4-9,13,17,19-20H2,1-3H3,(H,31,32)/b14-10+,18-11+