7-[2-[(1E,5E)-3-methyl-3-oxidanyl-octa-1,5-dienyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(1E,5E)-3-methyl-3-oxidanyl-octa-1,5-dienyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(1E,5E)-3-hydroxy-3-methyl-octa-1,5-dienyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(1E,5E)-3-hydroxy-3-methylocta-1,5-dienyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(1E,5E)-3-hydroxy-3-methylocta-1,5-dienyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(1E,5E)-3-hydroxy-3-methyl-octa-1,5-dienyl]-5-keto-cyclopentyl]enanthic acid Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(C)(C=CC1CCC(=O)C1CCCCCCC(=O)O)O

Isomeric SMILES

CC/C=C/CC(C)(/C=C/C1CCC(=O)C1CCCCCCC(=O)O)O

InChI

InChI=1S/C21H34O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h4,9,14,16-18,25H,3,5-8,10-13,15H2,1-2H3,(H,23,24)/b9-4+,16-14+