[(1S,2R,3R)-3-bromanyl-2-oxidanyl-cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2R,3R)-3-bromanyl-2-oxidanyl-cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2R,3R)-3-bromo-2-hydroxy-cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2R,3R)-3-bromo-2-hydroxycyclohexyl] ester IUPAC Name: [(1S,2R,3R)-3-bromo-2-hydroxycyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2R,3R)-3-bromo-2-hydroxy-cyclohexyl] ester Formula: C13H17BrO4S MolecularWeight: 349.24068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC(C2O)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCC[C@H]([C@@H]2O)Br

InChI

InChI=1S/C13H17BrO4S/c1-9-5-7-10(8-6-9)19(16,17)18-12-4-2-3-11(14)13(12)15/h5-8,11-13,15H,2-4H2,1H3/t11-,12+,13+/m1/s1