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

Systemtic Name: 3-[docosyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[docosyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[docosyl(dimethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[docosyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[behenyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C27H57NO4S MolecularWeight: 491.81078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H57NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(2,3)25-27(29)26-33(30,31)32/h27,29H,4-26H2,1-3H3