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

Systemtic Name: methyl 7-[(1R,2R,3R)-2-[(3R)-3-methyl-3-oxidanyl-oct-1-ynyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-3-methyl-oct-1-ynyl]-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-3-methyloct-1-ynyl]-5-oxocyclopentyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-3-methyloct-1-ynyl]-5-oxocyclopentyl]heptanoate Traditional Name: 7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-3-methyl-oct-1-ynyl]-5-keto-cyclopentyl]enanthic acid methyl ester Formula: C22H36O5 MolecularWeight: 380.51824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C#CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H36O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h17-18,20,24,26H,4-12,14,16H2,1-3H3/t17-,18+,20-,22-/m1/s1