8-[(1R,5R)-2-oxidanylidene-5-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]octanoic acid

Systemtic Name: 8-[(1R,5R)-2-oxidanylidene-5-[(E,3R)-3-oxidanyloct-1-enyl]cyclopentyl]octanoic acid Openeye Name: 8-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]octanoic acid CAS Name: 8-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]octanoic acid IUPAC Name: 8-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]octanoic acid Traditional Name: 8-[(1R,2R)-2-[(E,3R)-3-hydroxyoct-1-enyl]-5-keto-cyclopentyl]caprylic acid Formula: C21H36O4 MolecularWeight: 352.50814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)C1CCCCCCCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O4/c1-2-3-7-10-18(22)15-13-17-14-16-20(23)19(17)11-8-5-4-6-9-12-21(24)25/h13,15,17-19,22H,2-12,14,16H2,1H3,(H,24,25)/b15-13+/t17-,18+,19+/m0/s1