[3-(2,4-dichlorophenyl)-4-nitro-cyclohexyl] methanesulfonate

Systemtic Name: [3-(2,4-dichlorophenyl)-4-nitro-cyclohexyl] methanesulfonate Openeye Name: [3-(2,4-dichlorophenyl)-4-nitro-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [3-(2,4-dichlorophenyl)-4-nitrocyclohexyl] ester IUPAC Name: [3-(2,4-dichlorophenyl)-4-nitrocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(2,4-dichlorophenyl)-4-nitro-cyclohexyl] ester Formula: C13H15Cl2NO5S MolecularWeight: 368.2329

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CCC(C(C1)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)OC1CCC(C(C1)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H15Cl2NO5S/c1-22(19,20)21-9-3-5-13(16(17)18)11(7-9)10-4-2-8(14)6-12(10)15/h2,4,6,9,11,13H,3,5,7H2,1H3