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Technical details about Entsufon Sodium, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 2917-94-4, Sodium octoxynol-2 ethane sulfonate, Entsufon sodium [usan], Triton x-200, L6867h5fr4, Entsufon sodium (usan)
Molecular Formula
C20H33NaO6S
Molecular Weight
424.5  g/mol
InChI Key
FCZYGJBVLGLYQU-UHFFFAOYSA-M
FDA UNII
L6867H5FR4

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
sodium;2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonate
2.1.2 InChI
InChI=1S/C20H34O6S.Na/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)26-13-12-24-10-11-25-14-15-27(21,22)23;/h6-9H,10-16H2,1-5H3,(H,21,22,23);/q;+1/p-1
2.1.3 InChI Key
FCZYGJBVLGLYQU-UHFFFAOYSA-M
2.1.4 Canonical SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCOCCS(=O)(=O)[O-].[Na+]
2.2 Other Identifiers
2.2.1 UNII
L6867H5FR4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 2917-94-4

2. Sodium Octoxynol-2 Ethane Sulfonate

3. Entsufon Sodium [usan]

4. Triton X-200

5. L6867h5fr4

6. Entsufon Sodium (usan)

7. Sodium 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]ethanesulfonate

8. Sodium 2-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)ethanesulfonate

9. Sodium;2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethanesulfonate

10. Unii-l6867h5fr4

11. Einecs 220-851-3

12. Entsufon Sodium [ii]

13. Schembl767034

14. Entsufon Sodium [vandf]

15. Chembl2106682

16. Dtxsid3042398

17. Entsufon Sodium [mart.]

18. Triton X-200 [ii]

19. Entsufon Sodium [who-dd]

20. Triton X-200 Surfactant

21. 2-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)ethanesulfonic Acid, Sodium Salt

22. Sodium 2-(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)ethanesulfonate

23. Ethanesulfonic Acid, 2-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)-, Sodium Salt

24. Sodium Octoxynol-2 Ethane Sulphonate

25. Ft-0699907

26. D04009

27. Sodium Octoxynol-2 Ethane Sulfonate [inci]

28. Sodium Octoxynol-2 Ethane Sulfonate [vandf]

29. Q27282762

30. Sodium 2-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)ethanesulphonate

31. Sodium 2-(2-(2-(p-1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)ethanesulfonate

32. Ethanesulfonic Acid, 2-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethoxy)-, Sodium Salt (1:1)

2.4 Create Date
2008-02-05
3 Chemical and Physical Properties
Molecular Weight 424.5 g/mol
Molecular Formula C20H33NaO6S
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass424.18955422 g/mol
Monoisotopic Mass424.18955422 g/mol
Topological Polar Surface Area93.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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