8-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-(3-oxidanylideneoctyl)cyclopentyl]octanoic acid

Systemtic Name: 8-[(1R,2R,3R)-3-oxidanyl-5-oxidanylidene-2-(3-oxidanylideneoctyl)cyclopentyl]octanoic acid Openeye Name: 8-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]octanoic acid CAS Name: 8-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]octanoic acid IUPAC Name: 8-[(1R,2R,3R)-3-hydroxy-5-oxo-2-(3-oxooctyl)cyclopentyl]octanoic acid Traditional Name: 8-[(1R,2R,3R)-3-hydroxy-5-keto-2-(3-ketooctyl)cyclopentyl]caprylic acid Formula: C21H36O5 MolecularWeight: 368.50754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCC1C(CC(=O)C1CCCCCCCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H36O5/c1-2-3-7-10-16(22)13-14-18-17(19(23)15-20(18)24)11-8-5-4-6-9-12-21(25)26/h17-18,20,24H,2-15H2,1H3,(H,25,26)/t17-,18-,20-/m1/s1