3-[di(nonan-2-yl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[di(nonan-2-yl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[bis(1-methyloctyl)ammonio]propane-1-sulfonate CAS Name: 3-[di(nonan-2-yl)ammonio]-1-propanesulfonate IUPAC Name: 3-[di(nonan-2-yl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[bis(1-methyloctyl)ammonio]propane-1-sulfonate Formula: C21H45NO3S MolecularWeight: 391.6519

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)[NH+](CCCS(=O)(=O)[O-])C(C)CCCCCCC

Isomeric SMILES

CCCCCCCC(C)[NH+](CCCS(=O)(=O)[O-])C(C)CCCCCCC

InChI

InChI=1S/C21H45NO3S/c1-5-7-9-11-13-16-20(3)22(18-15-19-26(23,24)25)21(4)17-14-12-10-8-6-2/h20-21H,5-19H2,1-4H3,(H,23,24,25)