5-acetyloxy-5-[6-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexen-1-yl]pentanoic acid

Systemtic Name: 5-acetyloxy-5-[6-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexen-1-yl]pentanoic acid Openeye Name: 5-acetoxy-5-[6-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]cyclohexen-1-yl]pentanoic acid CAS Name: 5-acetyloxy-5-[6-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]-1-cyclohexenyl]pentanoic acid IUPAC Name: 5-acetyloxy-5-[6-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexen-1-yl]pentanoic acid Traditional Name: 5-acetoxy-5-[6-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]cyclohexen-1-yl]valeric acid Formula: C28H44O6 MolecularWeight: 476.64536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1CCCC=C1C(CCCC(=O)O)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1CCCC=C1C(CCCC(=O)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H44O6/c1-4-5-6-7-8-9-17-25(33-22(2)29)18-12-10-15-24-16-11-13-19-26(24)27(34-23(3)30)20-14-21-28(31)32/h10,12,15,18-19,24-25,27H,4-9,11,13-14,16-17,20-21H2,1-3H3,(H,31,32)/b15-10+,18-12+