(4-tert-butylcyclohexyl) 4-nitrobenzenesulfonate

Systemtic Name: (4-tert-butylcyclohexyl) 4-nitrobenzenesulfonate Openeye Name: (4-tert-butylcyclohexyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (4-tert-butylcyclohexyl) ester Formula: C16H23NO5S MolecularWeight: 341.42252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-16(2,3)12-4-8-14(9-5-12)22-23(20,21)15-10-6-13(7-11-15)17(18)19/h6-7,10-12,14H,4-5,8-9H2,1-3H3