[(1S,2S,3S,6S)-2-acetyloxy-6-bromanyl-4-methylidene-3-methylsulfonyloxy-cyclohexyl] ethanoate

Systemtic Name: [(1S,2S,3S,6S)-2-acetyloxy-6-bromanyl-4-methylidene-3-methylsulfonyloxy-cyclohexyl] ethanoate Openeye Name: [(1S,2S,3S,6S)-2-acetoxy-6-bromo-4-methylene-3-methylsulfonyloxy-cyclohexyl] acetate CAS Name: acetic acid [(1S,2S,3S,6S)-2-acetyloxy-6-bromo-4-methylene-3-methylsulfonyloxycyclohexyl] ester IUPAC Name: [(1S,2S,3S,6S)-2-acetyloxy-6-bromo-4-methylidene-3-methylsulfonyloxycyclohexyl] acetate Traditional Name: acetic acid [(1S,2S,3S,6S)-2-acetoxy-6-bromo-4-methylene-3-methylsulfonyloxy-cyclohexyl] ester Formula: C12H17BrO7S MolecularWeight: 385.22818

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(CC(=C)C(C1OC(=O)C)OS(=O)(=O)C)Br

Isomeric SMILES

CC(=O)O[C@@H]1[C@H](CC(=C)[C@@H]([C@H]1OC(=O)C)OS(=O)(=O)C)Br

InChI

InChI=1S/C12H17BrO7S/c1-6-5-9(13)11(18-7(2)14)12(19-8(3)15)10(6)20-21(4,16)17/h9-12H,1,5H2,2-4H3/t9-,10-,11+,12+/m0/s1