sodium 1-butoxy-10-oxidanyl-1-oxidanylidene-octadecane-9-sulfonate

Systemtic Name: sodium 1-butoxy-10-oxidanyl-1-oxidanylidene-octadecane-9-sulfonate Openeye Name: sodium 1-butoxy-10-hydroxy-1-oxo-octadecane-9-sulfonate CAS Name: sodium 1-butoxy-10-hydroxy-1-oxo-9-octadecanesulfonate IUPAC Name: sodium 1-butoxy-10-hydroxy-1-oxooctadecane-9-sulfonate Traditional Name: sodium 1-butoxy-10-hydroxy-1-keto-octadecane-9-sulfonate Formula: C22H43NaO6S MolecularWeight: 458.62799

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(CCCCCCCC(=O)OCCCC)S(=O)(=O)[O-])O.[Na+]

Isomeric SMILES

CCCCCCCCC(C(CCCCCCCC(=O)OCCCC)S(=O)(=O)[O-])O.[Na+]

InChI

InChI=1S/C22H44O6S.Na/c1-3-5-7-8-10-13-16-20(23)21(29(25,26)27)17-14-11-9-12-15-18-22(24)28-19-6-4-2;/h20-21,23H,3-19H2,1-2H3,(H,25,26,27);/q;+1/p-1