3-(docosyl-ethyl-methyl-azaniumyl)propane-1-sulfonate

Systemtic Name: 3-(docosyl-ethyl-methyl-azaniumyl)propane-1-sulfonate Openeye Name: 3-(docosyl-ethyl-methyl-ammonio)propane-1-sulfonate CAS Name: 3-(docosyl-ethyl-methylammonio)-1-propanesulfonate IUPAC Name: 3-(docosyl-ethyl-methylazaniumyl)propane-1-sulfonate Traditional Name: 3-(behenyl-ethyl-methyl-ammonio)propane-1-sulfonate Formula: C28H59NO3S MolecularWeight: 489.83796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(CC)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(CC)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C28H59NO3S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(3,5-2)27-25-28-33(30,31)32/h4-28H2,1-3H3