(2-nitrooxycyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (2-nitrooxycyclohexyl) 4-methylbenzenesulfonate Openeye Name: (2-nitrooxycyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-nitrooxycyclohexyl) ester IUPAC Name: (2-nitrooxycyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-nitrooxycyclohexyl) ester Formula: C13H17NO6S MolecularWeight: 315.34218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2O[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2O[N+](=O)[O-]

InChI

InChI=1S/C13H17NO6S/c1-10-6-8-11(9-7-10)21(17,18)20-13-5-3-2-4-12(13)19-14(15)16/h6-9,12-13H,2-5H2,1H3