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Substance Name: Butanedioic acid, 2-sulfo-, 1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester, sodium salt (1:1)
RN: 54950-05-9
InChIKey: ZYSXJSUKIXPQGO-UHFFFAOYSA-M

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C20-H12-F26-O7-S.Na

Molecular Weight

  • 912.304
 
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Names and Synonyms

Synonym

  • EINECS 259-407-9

Systematic Names

  • Butanedioic acid, 2-sulfo-, 1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester, sodium salt (1:1)
  • Butanedioic acid, sulfo-, 1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester, sodium salt
  • Sodium 1,4-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) sulphonatosuccinate

Registry Numbers

CAS Registry Number

  • 54950-05-9

Other Registry Number

  • 110735-99-4

System Generated Number

  • 0054950059

Molecular Formulas

Molecular Formula

  • C20-H12-F26-O7-S.Na

Molecular Formula Fragments

  • C20-H12-F26-O7-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H12F26O7S.Na/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)1-3-52-7(47)5-6(54(49,50)51)8(48)53-4-2-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46;/h6H,1-5H2,(H,49,50,51);/q;+1/p-1

InChIKey

ZYSXJSUKIXPQGO-UHFFFAOYSA-M

Smiles

[Na+].C([C@@H](CC(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)[O-])(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F