(2-methylcyclohexyl) 3-nitrobenzenesulfonate

Systemtic Name: (2-methylcyclohexyl) 3-nitrobenzenesulfonate Openeye Name: (2-methylcyclohexyl) 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid (2-methylcyclohexyl) ester IUPAC Name: (2-methylcyclohexyl) 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid (2-methylcyclohexyl) ester Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-10-5-2-3-8-13(10)19-20(17,18)12-7-4-6-11(9-12)14(15)16/h4,6-7,9-10,13H,2-3,5,8H2,1H3