sodium 1,1,2-triethoxy-2-methyl-octadecane-1-sulfonate

Systemtic Name: sodium 1,1,2-triethoxy-2-methyl-octadecane-1-sulfonate Openeye Name: sodium 1,1,2-triethoxy-2-methyl-octadecane-1-sulfonate CAS Name: sodium 1,1,2-triethoxy-2-methyl-1-octadecanesulfonate IUPAC Name: sodium 1,1,2-triethoxy-2-methyloctadecane-1-sulfonate Traditional Name: sodium 1,1,2-triethoxy-2-methyl-octadecane-1-sulfonate Formula: C25H51NaO6S MolecularWeight: 502.72361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)(C(OCC)(OCC)S(=O)(=O)[O-])OCC.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)(C(OCC)(OCC)S(=O)(=O)[O-])OCC.[Na+]

InChI

InChI=1S/C25H52O6S.Na/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(5,29-7-2)25(30-8-3,31-9-4)32(26,27)28;/h6-23H2,1-5H3,(H,26,27,28);/q;+1/p-1