methyl 8-[3-oxidanyl-5-oxidanylidene-2-(3-oxidanyloct-1-ynyl)cyclopentyl]octanoate

Systemtic Name: methyl 8-[3-oxidanyl-5-oxidanylidene-2-(3-oxidanyloct-1-ynyl)cyclopentyl]octanoate Openeye Name: methyl 8-[3-hydroxy-2-(3-hydroxyoct-1-ynyl)-5-oxo-cyclopentyl]octanoate CAS Name: 8-[3-hydroxy-2-(3-hydroxyoct-1-ynyl)-5-oxocyclopentyl]octanoic acid methyl ester IUPAC Name: methyl 8-[3-hydroxy-2-(3-hydroxyoct-1-ynyl)-5-oxocyclopentyl]octanoate Traditional Name: 8-[3-hydroxy-2-(3-hydroxyoct-1-ynyl)-5-keto-cyclopentyl]caprylic acid methyl ester Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC1C(CC(=O)C1CCCCCCCC(=O)OC)O)O

Isomeric SMILES

CCCCCC(C#CC1C(CC(=O)C1CCCCCCCC(=O)OC)O)O

InChI

InChI=1S/C22H36O5/c1-3-4-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-6-5-7-10-13-22(26)27-2/h17-19,21,23,25H,3-13,16H2,1-2H3