tert-butyl 2-[4-[(1R,2S,3R,5R)-5-bromanyl-2-(3-cyclohexyl-3-oxidanyl-prop-1-ynyl)-3-oxidanyl-cyclopentyl]butylsulfinyl]ethanoate

Systemtic Name: tert-butyl 2-[4-[(1R,2S,3R,5R)-5-bromanyl-2-(3-cyclohexyl-3-oxidanyl-prop-1-ynyl)-3-oxidanyl-cyclopentyl]butylsulfinyl]ethanoate Openeye Name: tert-butyl 2-[4-[(1R,2S,3R,5R)-5-bromo-2-(3-cyclohexyl-3-hydroxy-prop-1-ynyl)-3-hydroxy-cyclopentyl]butylsulfinyl]acetate CAS Name: 2-[4-[(1R,2S,3R,5R)-5-bromo-2-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-3-hydroxycyclopentyl]butylsulfinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(1R,2S,3R,5R)-5-bromo-2-(3-cyclohexyl-3-hydroxyprop-1-ynyl)-3-hydroxycyclopentyl]butylsulfinyl]acetate Traditional Name: 2-[4-[(1R,2S,3R,5R)-5-bromo-2-(3-cyclohexyl-3-hydroxy-prop-1-ynyl)-3-hydroxy-cyclopentyl]butylsulfinyl]acetic acid tert-butyl ester Formula: C24H39BrO5S MolecularWeight: 519.53246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CS(=O)CCCCC1C(CC(C1C#CC(C2CCCCC2)O)O)Br

Isomeric SMILES

CC(C)(C)OC(=O)CS(=O)CCCC[C@H]1[C@@H](C[C@H]([C@@H]1C#CC(C2CCCCC2)O)O)Br

InChI

InChI=1S/C24H39BrO5S/c1-24(2,3)30-23(28)16-31(29)14-8-7-11-18-19(22(27)15-20(18)25)12-13-21(26)17-9-5-4-6-10-17/h17-22,26-27H,4-11,14-16H2,1-3H3/t18-,19-,20-,21?,22-,31?/m1/s1