[(1S,3R)-3-oxidanylcyclohexyl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S,3R)-3-oxidanylcyclohexyl] 4-nitrobenzenesulfonate Openeye Name: [(1S,3R)-3-hydroxycyclohexyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,3R)-3-hydroxycyclohexyl] ester IUPAC Name: [(1S,3R)-3-hydroxycyclohexyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,3R)-3-hydroxycyclohexyl] ester Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](C[C@H](C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C12H15NO6S/c14-10-2-1-3-11(8-10)19-20(17,18)12-6-4-9(5-7-12)13(15)16/h4-7,10-11,14H,1-3,8H2/t10-,11+/m1/s1