(2-methylcyclohexyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-methylcyclohexyl) 4-nitrobenzenesulfonate Openeye Name: (2-methylcyclohexyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-methylcyclohexyl) ester IUPAC Name: (2-methylcyclohexyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-methylcyclohexyl) ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCC1OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO5S/c1-10-4-2-3-5-13(10)19-20(17,18)12-8-6-11(7-9-12)14(15)16/h6-10,13H,2-5H2,1H3