5-acetyloxy-5-[6-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]cyclohex-3-en-1-yl]pentanoic acid

Systemtic Name: 5-acetyloxy-5-[6-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]cyclohex-3-en-1-yl]pentanoic acid Openeye Name: 5-acetoxy-5-[6-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]cyclohex-3-en-1-yl]pentanoic acid CAS Name: 5-acetyloxy-5-[6-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]-1-cyclohex-3-enyl]pentanoic acid IUPAC Name: 5-acetyloxy-5-[6-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]cyclohex-3-en-1-yl]pentanoic acid Traditional Name: 5-acetoxy-5-[6-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]cyclohex-3-en-1-yl]valeric acid Formula: C26H42O5 MolecularWeight: 434.60868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1CC=CCC1C(CCCC(=O)O)OC(=O)C)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1CC=CCC1C(CCCC(=O)O)OC(=O)C)O

InChI

InChI=1S/C26H42O5/c1-3-4-5-6-7-8-16-23(28)17-11-9-14-22-15-10-12-18-24(22)25(31-21(2)27)19-13-20-26(29)30/h9-12,14,17,22-25,28H,3-8,13,15-16,18-20H2,1-2H3,(H,29,30)/b14-9+,17-11+