[(1S,2S)-2-chloranylcyclohexyl] 4-nitrobenzenesulfonate

Systemtic Name: [(1S,2S)-2-chloranylcyclohexyl] 4-nitrobenzenesulfonate Openeye Name: [(1S,2S)-2-chlorocyclohexyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(1S,2S)-2-chlorocyclohexyl] ester IUPAC Name: [(1S,2S)-2-chlorocyclohexyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1S,2S)-2-chlorocyclohexyl] ester Formula: C12H14ClNO5S MolecularWeight: 319.76126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO5S/c13-11-3-1-2-4-12(11)19-20(17,18)10-7-5-9(6-8-10)14(15)16/h5-8,11-12H,1-4H2/t11-,12-/m0/s1