[(1S,2R)-2-oxidanylcyclohexyl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S,2R)-2-oxidanylcyclohexyl] 4-nitrobenzenesulfonate Openeye Name: [(1S,2R)-2-hydroxycyclohexyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,2R)-2-hydroxycyclohexyl] ester IUPAC Name: [(1S,2R)-2-hydroxycyclohexyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,2R)-2-hydroxycyclohexyl] ester Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)O)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO6S/c14-11-3-1-2-4-12(11)19-20(17,18)10-7-5-9(6-8-10)13(15)16/h5-8,11-12,14H,1-4H2/t11-,12+/m1/s1