3-(decyl-methyl-octyl-azaniumyl)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-(decyl-methyl-octyl-azaniumyl)-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-(decyl-methyl-octyl-ammonio)-2-hydroxy-propane-1-sulfonate CAS Name: 3-(decyl-methyl-octylammonio)-2-hydroxy-1-propanesulfonate IUPAC Name: 3-(decyl-methyl-octylazaniumyl)-2-hydroxypropane-1-sulfonate Traditional Name: 3-(decyl-methyl-octyl-ammonio)-2-hydroxy-propane-1-sulfonate Formula: C22H47NO4S MolecularWeight: 421.67788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H47NO4S/c1-4-6-8-10-12-13-15-17-19-23(3,18-16-14-11-9-7-5-2)20-22(24)21-28(25,26)27/h22,24H,4-21H2,1-3H3