7-[2-[(1E)-3,7-dimethyl-3-oxidanyl-octa-1,6-dienyl]-5-oxidanylidene-cyclopentyl]heptanoic acid

Systemtic Name: 7-[2-[(1E)-3,7-dimethyl-3-oxidanyl-octa-1,6-dienyl]-5-oxidanylidene-cyclopentyl]heptanoic acid Openeye Name: 7-[2-[(1E)-3-hydroxy-3,7-dimethyl-octa-1,6-dienyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 7-[2-[(1E)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 7-[2-[(1E)-3-hydroxy-3,7-dimethylocta-1,6-dienyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 7-[2-[(1E)-3-hydroxy-3,7-dimethyl-octa-1,6-dienyl]-5-keto-cyclopentyl]enanthic acid Formula: C22H36O4 MolecularWeight: 364.51884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C)(C=CC1CCC(=O)C1CCCCCCC(=O)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H36O4/c1-17(2)9-8-15-22(3,26)16-14-18-12-13-20(23)19(18)10-6-4-5-7-11-21(24)25/h9,14,16,18-19,26H,4-8,10-13,15H2,1-3H3,(H,24,25)/b16-14+