3-(docosyl-ethyl-methyl-azaniumyl)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-(docosyl-ethyl-methyl-azaniumyl)-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-(docosyl-ethyl-methyl-ammonio)-2-hydroxy-propane-1-sulfonate CAS Name: 3-(docosyl-ethyl-methylammonio)-2-hydroxy-1-propanesulfonate IUPAC Name: 3-(docosyl-ethyl-methylazaniumyl)-2-hydroxypropane-1-sulfonate Traditional Name: 3-(behenyl-ethyl-methyl-ammonio)-2-hydroxy-propane-1-sulfonate Formula: C28H59NO4S MolecularWeight: 505.83736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59NO4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29(3,5-2)26-28(30)27-34(31,32)33/h28,30H,4-27H2,1-3H3