8-[(1R,2R)-2-[(1E)-4-methyl-4-oxidanyl-octa-1,7-dienyl]-5-oxidanylidene-cyclopentyl]octanoic acid

Systemtic Name: 8-[(1R,2R)-2-[(1E)-4-methyl-4-oxidanyl-octa-1,7-dienyl]-5-oxidanylidene-cyclopentyl]octanoic acid Openeye Name: 8-[(1R,2R)-2-[(1E)-4-hydroxy-4-methyl-octa-1,7-dienyl]-5-oxo-cyclopentyl]octanoic acid CAS Name: 8-[(1R,2R)-2-[(1E)-4-hydroxy-4-methylocta-1,7-dienyl]-5-oxocyclopentyl]octanoic acid IUPAC Name: 8-[(1R,2R)-2-[(1E)-4-hydroxy-4-methylocta-1,7-dienyl]-5-oxocyclopentyl]octanoic acid Traditional Name: 8-[(1R,2R)-2-[(1E)-4-hydroxy-4-methyl-octa-1,7-dienyl]-5-keto-cyclopentyl]caprylic acid Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C)(CC=CC1CCC(=O)C1CCCCCCCC(=O)O)O

Isomeric SMILES

CC(CCC=C)(C/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCCC(=O)O)O

InChI

InChI=1S/C22H36O4/c1-3-4-16-22(2,26)17-10-11-18-14-15-20(23)19(18)12-8-6-5-7-9-13-21(24)25/h3,10-11,18-19,26H,1,4-9,12-17H2,2H3,(H,24,25)/b11-10+/t18-,19+,22?/m0/s1