(2-cyclohexyl-2-oxidanylidene-ethyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-cyclohexyl-2-oxidanylidene-ethyl) 4-nitrobenzenesulfonate Openeye Name: (2-cyclohexyl-2-oxo-ethyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-cyclohexyl-2-oxoethyl) ester IUPAC Name: (2-cyclohexyl-2-oxoethyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-cyclohexyl-2-keto-ethyl) ester Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)COS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H17NO6S/c16-14(11-4-2-1-3-5-11)10-21-22(19,20)13-8-6-12(7-9-13)15(17)18/h6-9,11H,1-5,10H2