sodium 3-octadecanoyloxy-2-oxidanyl-propane-1-sulfonate

Systemtic Name: sodium 3-octadecanoyloxy-2-oxidanyl-propane-1-sulfonate Openeye Name: sodium 2-hydroxy-3-octadecanoyloxy-propane-1-sulfonate CAS Name: sodium 2-hydroxy-3-(1-oxooctadecoxy)-1-propanesulfonate IUPAC Name: sodium 2-hydroxy-3-octadecanoyloxypropane-1-sulfonate Traditional Name: sodium 2-hydroxy-3-stearoyloxy-propane-1-sulfonate Formula: C21H41NaO6S MolecularWeight: 444.60141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CS(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CS(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C21H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28(24,25)26;/h20,22H,2-19H2,1H3,(H,24,25,26);/q;+1/p-1