3-[icosyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[icosyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 2-hydroxy-3-[icosyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[eicosyl(dimethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 2-hydroxy-3-[icosyl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[arachyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C25H53NO4S MolecularWeight: 463.75762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C25H53NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(2,3)23-25(27)24-31(28,29)30/h25,27H,4-24H2,1-3H3