(2-cyclohexylcyclohexyl) 2-nitrobenzenesulfonate

Systemtic Name: (2-cyclohexylcyclohexyl) 2-nitrobenzenesulfonate Openeye Name: (2-cyclohexylcyclohexyl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (2-cyclohexylcyclohexyl) ester IUPAC Name: (2-cyclohexylcyclohexyl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (2-cyclohexylcyclohexyl) ester Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCCCC2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C2CCCCC2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H25NO5S/c20-19(21)16-11-5-7-13-18(16)25(22,23)24-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h5,7,11,13-15,17H,1-4,6,8-10,12H2