3-[diethyl(tetracosyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[diethyl(tetracosyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[diethyl(tetracosyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[diethyl(tetracosyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[diethyl(tetracosyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[diethyl(lignoceryl)ammonio]-2-hydroxy-propane-1-sulfonate Formula: C31H65NO4S MolecularWeight: 547.9171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC(CS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC[N+](CC)(CC)CC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C31H65NO4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32(5-2,6-3)29-31(33)30-37(34,35)36/h31,33H,4-30H2,1-3H3