5-acetyloxy-5-[(1S,2S)-2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexyl]pentanoic acid

Systemtic Name: 5-acetyloxy-5-[(1S,2S)-2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexyl]pentanoic acid Openeye Name: 5-acetoxy-5-[(1S,2S)-2-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]cyclohexyl]pentanoic acid CAS Name: 5-acetyloxy-5-[(1S,2S)-2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexyl]pentanoic acid IUPAC Name: 5-acetyloxy-5-[(1S,2S)-2-[(1E,3E)-5-acetyloxytrideca-1,3-dienyl]cyclohexyl]pentanoic acid Traditional Name: 5-acetoxy-5-[(1S,2S)-2-[(1E,3E)-5-acetoxytrideca-1,3-dienyl]cyclohexyl]valeric acid Formula: C28H46O6 MolecularWeight: 478.66124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1CCCCC1C(CCCC(=O)O)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/[C@@H]1CCCC[C@@H]1C(CCCC(=O)O)OC(=O)C)OC(=O)C

InChI

InChI=1S/C28H46O6/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/h10,12,15,18,24-27H,4-9,11,13-14,16-17,19-21H2,1-3H3,(H,31,32)/b15-10+,18-12+/t24-,25?,26+,27?/m1/s1