(2-cyclohexylcyclohexyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-cyclohexylcyclohexyl) 4-nitrobenzenesulfonate Openeye Name: (2-cyclohexylcyclohexyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-cyclohexylcyclohexyl) ester IUPAC Name: (2-cyclohexylcyclohexyl) 4-nitrobenzenesulfonate Traditional Name: 4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO5S/c20-19(21)15-10-12-16(13-11-15)25(22,23)24-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h10-14,17-18H,1-9H2