[3-(4-chlorophenyl)-4-nitro-cyclohexyl] methanesulfonate

Systemtic Name: [3-(4-chlorophenyl)-4-nitro-cyclohexyl] methanesulfonate Openeye Name: [3-(4-chlorophenyl)-4-nitro-cyclohexyl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-chlorophenyl)-4-nitrocyclohexyl] ester IUPAC Name: [3-(4-chlorophenyl)-4-nitrocyclohexyl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-chlorophenyl)-4-nitro-cyclohexyl] ester Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-21(18,19)20-11-6-7-13(15(16)17)12(8-11)9-2-4-10(14)5-3-9/h2-5,11-13H,6-8H2,1H3