methyl 7-[(1S,2S,3R)-2-oct-1-ynyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: methyl 7-[(1S,2S,3R)-2-oct-1-ynyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: methyl 7-[(1S,2S,3R)-3-hydroxy-2-oct-1-ynyl-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[(1S,2S,3R)-3-hydroxy-2-oct-1-ynyl-5-oxocyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1S,2S,3R)-3-hydroxy-2-oct-1-ynyl-5-oxocyclopentyl]heptanoate Traditional Name: 7-[(1S,2S,3R)-3-hydroxy-5-keto-2-oct-1-ynyl-cyclopentyl]enanthic acid methyl ester Formula: C21H34O4 MolecularWeight: 350.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1C(CC(=O)C1CCCCCCC(=O)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H34O4/c1-3-4-5-6-7-10-13-17-18(20(23)16-19(17)22)14-11-8-9-12-15-21(24)25-2/h17-19,22H,3-9,11-12,14-16H2,1-2H3/t17-,18+,19-/m1/s1