methyl 8-[(1R,2S,3R)-2-oct-1-ynyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]octanoate

Systemtic Name: methyl 8-[(1R,2S,3R)-2-oct-1-ynyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]octanoate Openeye Name: methyl 8-[(1R,2S,3R)-3-hydroxy-2-oct-1-ynyl-5-oxo-cyclopentyl]octanoate CAS Name: 8-[(1R,2S,3R)-3-hydroxy-2-oct-1-ynyl-5-oxocyclopentyl]octanoic acid methyl ester IUPAC Name: methyl 8-[(1R,2S,3R)-3-hydroxy-2-oct-1-ynyl-5-oxocyclopentyl]octanoate Traditional Name: 8-[(1R,2S,3R)-3-hydroxy-5-keto-2-oct-1-ynyl-cyclopentyl]caprylic acid methyl ester Formula: C22H36O4 MolecularWeight: 364.51884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1C(CC(=O)C1CCCCCCCC(=O)OC)O

Isomeric SMILES

CCCCCCC#C[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCCC(=O)OC)O

InChI

InChI=1S/C22H36O4/c1-3-4-5-6-8-11-14-18-19(21(24)17-20(18)23)15-12-9-7-10-13-16-22(25)26-2/h18-20,23H,3-10,12-13,15-17H2,1-2H3/t18-,19-,20-/m1/s1