tert-butyl 2-[(2R,3S,4S)-4-iodanyl-2-octyl-5-oxidanylidene-oxolan-3-yl]-2-methylsulfanyl-propanoate

Systemtic Name: tert-butyl 2-[(2R,3S,4S)-4-iodanyl-2-octyl-5-oxidanylidene-oxolan-3-yl]-2-methylsulfanyl-propanoate Openeye Name: tert-butyl 2-[(2R,3S,4S)-4-iodo-2-octyl-5-oxo-tetrahydrofuran-3-yl]-2-methylsulfanyl-propanoate CAS Name: 2-[(2R,3S,4S)-4-iodo-2-octyl-5-oxo-3-oxolanyl]-2-(methylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,3S,4S)-4-iodo-2-octyl-5-oxooxolan-3-yl]-2-methylsulfanylpropanoate Traditional Name: 2-[(2R,3S,4S)-4-iodo-5-keto-2-octyl-tetrahydrofuran-3-yl]-2-(methylthio)propionic acid tert-butyl ester Formula: C20H35IO4S MolecularWeight: 498.45897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(C(C(=O)O1)I)C(C)(C(=O)OC(C)(C)C)SC

Isomeric SMILES

CCCCCCCC[C@@H]1[C@H]([C@@H](C(=O)O1)I)C(C)(C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C20H35IO4S/c1-7-8-9-10-11-12-13-14-15(16(21)17(22)24-14)20(5,26-6)18(23)25-19(2,3)4/h14-16H,7-13H2,1-6H3/t14-,15-,16+,20?/m1/s1