methyl (3R,4S,5R)-4-methylsulfonyloxy-3,5-bis(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,4S,5R)-4-methylsulfonyloxy-3,5-bis(oxidanyl)cyclohexene-1-carboxylate Openeye Name: methyl (3R,4S,5R)-3,5-dihydroxy-4-methylsulfonyloxy-cyclohexene-1-carboxylate CAS Name: (3R,4S,5R)-3,5-dihydroxy-4-methylsulfonyloxy-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,4S,5R)-3,5-dihydroxy-4-methylsulfonyloxycyclohexene-1-carboxylate Traditional Name: (3R,4S,5R)-3,5-dihydroxy-4-methylsulfonyloxy-cyclohexene-1-carboxylic acid methyl ester Formula: C9H14O7S MolecularWeight: 266.26826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(C(C1)O)OS(=O)(=O)C)O

Isomeric SMILES

COC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)OS(=O)(=O)C)O

InChI

InChI=1S/C9H14O7S/c1-15-9(12)5-3-6(10)8(7(11)4-5)16-17(2,13)14/h3,6-8,10-11H,4H2,1-2H3/t6-,7-,8-/m1/s1