[(Z)-3-iodanyl-4-[(1R,2S)-1,4,4-trimethyl-2-methylsulfonyloxy-6-oxidanylidene-cyclohexyl]but-2-enyl] ethanoate

Systemtic Name: [(Z)-3-iodanyl-4-[(1R,2S)-1,4,4-trimethyl-2-methylsulfonyloxy-6-oxidanylidene-cyclohexyl]but-2-enyl] ethanoate Openeye Name: [(Z)-3-iodo-4-[(1R,2S)-1,4,4-trimethyl-2-methylsulfonyloxy-6-oxo-cyclohexyl]but-2-enyl] acetate CAS Name: acetic acid [(Z)-3-iodo-4-[(1R,2S)-1,4,4-trimethyl-2-methylsulfonyloxy-6-oxocyclohexyl]but-2-enyl] ester IUPAC Name: [(Z)-3-iodo-4-[(1R,2S)-1,4,4-trimethyl-2-methylsulfonyloxy-6-oxocyclohexyl]but-2-enyl] acetate Traditional Name: acetic acid [(Z)-3-iodo-4-[(1R,6S)-2-keto-1,4,4-trimethyl-6-methylsulfonyloxy-cyclohexyl]but-2-enyl] ester Formula: C16H25IO6S MolecularWeight: 472.33557

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC=C(CC1(C(CC(CC1=O)(C)C)OS(=O)(=O)C)C)I

Isomeric SMILES

CC(=O)OC/C=C(/C[C@@]1([C@H](CC(CC1=O)(C)C)OS(=O)(=O)C)C)\I

InChI

InChI=1S/C16H25IO6S/c1-11(18)22-7-6-12(17)8-16(4)13(19)9-15(2,3)10-14(16)23-24(5,20)21/h6,14H,7-10H2,1-5H3/b12-6-/t14-,16-/m0/s1