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Substance Name: Carbamic acid, N-(2-(sulfothio)ethyl)-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoroctyl)-, C-ethyl ester, sodium salt (1:1)
RN: 67846-66-6
InChIKey: SHJSJIUQURWHTN-UHFFFAOYSA-M

Classification Code

  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C13-H14-F13-N-O5-S2.Na

Molecular Weight

  • 597.344
 
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Names and Synonyms

Synonyms

  • EINECS 267-379-4
  • N-(2-Sulfothioethyl)-1,1,2,2-tetrahydroperfluorooctylurethane, sodium salt

Systematic Names

  • Carbamic acid, (2-(sulfothio)ethyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, C-ethyl ester, sodium salt
  • Carbamic acid, N-(2-(sulfothio)ethyl)-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoroctyl)-, C-ethyl ester, sodium salt (1:1)
  • Carbamic acid, N-(2-(sulfothio)ethyl)-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, C-ethyl ester, sodium salt (1:1)
  • Sodium C-ethyl (2-(sulphonatothio)ethyl)(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)carbamate

Registry Numbers

CAS Registry Number

  • 67846-66-6

System Generated Number

  • 0067846666

Molecular Formulas

Molecular Formula

  • C13-H14-F13-N-O5-S2.Na

Molecular Formula Fragments

  • C13-H14-F13-N-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H14F13NO5S2.Na/c1-2-32-7(28)27-5-6(3-4-33-34(29,30)31)8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26;/h6H,2-5H2,1H3,(H,27,28)(H,29,30,31);/q;+1/p-1

InChIKey

SHJSJIUQURWHTN-UHFFFAOYSA-M

Smiles

S(=O)(=O)([O-])SCC[C@@H](CNC(=O)OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[Na+]