[(3S)-3-chloranyl-4-bicyclo[2.2.2]octanyl] 4-nitrobenzenesulfonate

Systemtic Name: [(3S)-3-chloranyl-4-bicyclo[2.2.2]octanyl] 4-nitrobenzenesulfonate Openeye Name: [(3S)-3-chloro-4-bicyclo[2.2.2]octanyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(3S)-3-chloro-4-bicyclo[2.2.2]octanyl] ester IUPAC Name: [(3S)-3-chloro-4-bicyclo[2.2.2]octanyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(3S)-3-chloro-4-bicyclo[2.2.2]octanyl] ester Formula: C14H16ClNO5S MolecularWeight: 345.79854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1CC2Cl)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC2(CCC1C[C@@H]2Cl)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClNO5S/c15-13-9-10-5-7-14(13,8-6-10)21-22(19,20)12-3-1-11(2-4-12)16(17)18/h1-4,10,13H,5-9H2/t10?,13-,14?/m0/s1