azanyl 3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propane-1-sulfonate

Systemtic Name: azanyl 3-[dodecyl-(3-methyl-4-nitro-phenyl)amino]propane-1-sulfonate Openeye Name: amino 3-(N-dodecyl-3-methyl-4-nitro-anilino)propane-1-sulfonate CAS Name: 3-(N-dodecyl-3-methyl-4-nitroanilino)-1-propanesulfonic acid IUPAC Name: amino 3-(N-dodecyl-3-methyl-4-nitroanilino)propane-1-sulfonate Traditional Name: 3-(N-lauryl-3-methyl-4-nitro-anilino)propane-1-sulfonic acid amino ester Formula: C22H39N3O5S MolecularWeight: 457.62716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(CCCS(=O)(=O)ON)C1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCCCCCCCN(CCCS(=O)(=O)ON)C1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C22H39N3O5S/c1-3-4-5-6-7-8-9-10-11-12-16-24(17-13-18-31(28,29)30-23)21-14-15-22(25(26)27)20(2)19-21/h14-15,19H,3-13,16-18,23H2,1-2H3