3-[icosan-5-yl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[icosan-5-yl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[1-butylhexadecyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[eicosan-5-yl(dimethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 2-hydroxy-3-[icosan-5-yl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[1-butylhexadecyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C25H53NO4S MolecularWeight: 463.75762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H53NO4S/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-24(20-8-6-2)26(3,4)22-25(27)23-31(28,29)30/h24-25,27H,5-23H2,1-4H3