sodium 18-(dibutylamino)-10-oxidanyl-18-oxidanylidene-octadecane-9-sulfonate

Systemtic Name: sodium 18-(dibutylamino)-10-oxidanyl-18-oxidanylidene-octadecane-9-sulfonate Openeye Name: sodium 18-(dibutylamino)-10-hydroxy-18-oxo-octadecane-9-sulfonate CAS Name: sodium 18-(dibutylamino)-10-hydroxy-18-oxo-9-octadecanesulfonate IUPAC Name: sodium 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulfonate Traditional Name: sodium 18-(dibutylamino)-10-hydroxy-18-keto-octadecane-9-sulfonate Formula: C26H52NNaO5S MolecularWeight: 513.74955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H53NO5S.Na/c1-4-7-10-11-14-17-20-25(33(30,31)32)24(28)19-16-13-12-15-18-21-26(29)27(22-8-5-2)23-9-6-3;/h24-25,28H,4-23H2,1-3H3,(H,30,31,32);/q;+1/p-1