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

Systemtic Name: 3-[2-methoxydocosyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 2-hydroxy-3-[2-methoxydocosyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 2-hydroxy-3-[2-methoxydocosyl(dimethyl)ammonio]-1-propanesulfonate IUPAC Name: 2-hydroxy-3-[2-methoxydocosyl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 2-hydroxy-3-[2-methoxydocosyl(dimethyl)ammonio]propane-1-sulfonate Formula: C28H59NO5S MolecularWeight: 521.83676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59NO5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(34-4)25-29(2,3)24-27(30)26-35(31,32)33/h27-28,30H,5-26H2,1-4H3