methyl 6-[(1R,3R)-2-[(E)-5-methyl-5-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylhexanoate

Systemtic Name: methyl 6-[(1R,3R)-2-[(E)-5-methyl-5-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylhexanoate Openeye Name: methyl 6-[(1R,3R)-3-hydroxy-2-[(E)-5-hydroxy-5-methyl-oct-1-enyl]-5-oxo-cyclopentyl]sulfanylhexanoate CAS Name: 6-[[(1R,3R)-3-hydroxy-2-[(E)-5-hydroxy-5-methyloct-1-enyl]-5-oxocyclopentyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 6-[(1R,3R)-3-hydroxy-2-[(E)-5-hydroxy-5-methyloct-1-enyl]-5-oxocyclopentyl]sulfanylhexanoate Traditional Name: 6-[[(1R,3R)-3-hydroxy-2-[(E)-5-hydroxy-5-methyl-oct-1-enyl]-5-keto-cyclopentyl]thio]hexanoic acid methyl ester Formula: C21H36O5S MolecularWeight: 400.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CCC=CC1C(CC(=O)C1SCCCCCC(=O)OC)O)O

Isomeric SMILES

CCCC(C)(CC/C=C/C1[C@@H](CC(=O)[C@@H]1SCCCCCC(=O)OC)O)O

InChI

InChI=1S/C21H36O5S/c1-4-12-21(2,25)13-8-7-10-16-17(22)15-18(23)20(16)27-14-9-5-6-11-19(24)26-3/h7,10,16-17,20,22,25H,4-6,8-9,11-15H2,1-3H3/b10-7+/t16?,17-,20-,21?/m1/s1