octadecyl 2-nitrobenzenesulfonate

Systemtic Name: octadecyl 2-nitrobenzenesulfonate Openeye Name: octadecyl 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid octadecyl ester IUPAC Name: octadecyl 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid stearyl ester Formula: C24H41NO5S MolecularWeight: 455.65104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C24H41NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-30-31(28,29)24-21-18-17-20-23(24)25(26)27/h17-18,20-21H,2-16,19,22H2,1H3