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Also known as: 2211-98-5, Sodium 4-dodecylbenzenesulfonate, Sodium;4-dodecylbenzenesulfonate, Hb2d2zei04, Bio-soft s 101 (sodium), Sodium 4-dodecylbenzenesulphonate

Molecular Formula

C₁₈H₂₉NaO₃S

Molecular Weight

348.5 g/mol

InChI Key

JHJUUEHSAZXEEO-UHFFFAOYSA-M

FDA UNII

HB2D2ZEI04

1 2D Structure

Sodium 4-Dodecylbenzenesulfonate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;4-dodecylbenzenesulfonate

2.1.2 InChI

InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1

2.1.3 InChI Key

JHJUUEHSAZXEEO-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]

2.2 Other Identifiers

2.2.1 UNII

HB2D2ZEI04

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2211-98-5

2. Sodium 4-dodecylbenzenesulfonate

3. Sodium;4-dodecylbenzenesulfonate

4. Hb2d2zei04

5. Bio-soft S 101 (sodium)

6. Sodium 4-dodecylbenzenesulphonate

7. Benzenesulfonic Acid, 4-dodecyl-, Sodium Salt (1:1)

8. Dodecylbenzenesodiumsulfonate

9. Sulfonax

10. Unii-hb2d2zei04

11. Benzenesulfonic Acid, 4-dodecyl-, Sodium Salt

12. Schembl446403

13. Sodium P-dodecylphenylsulfonate

14. Sodiump-dodecylbenzenesulfonate

15. Dtxsid9042413

16. 4-dodecylbenzenesulfonic Acid Sodium

17. Einecs 218-654-2

18. P-undecylbenzenesulfonic Acid, Sodium Salt

19. 4-dodecylbenzenesulfonic Acid, Sodium Salt

20. Sodium 1-phenyldodecane-p-sulfonate

21. Cs-0264826

22. Ft-0659925

23. Ft-0717310

24. Dodecylbenzene Sodium Sulphonate, Sodium Salt

25. W-107260

26. W-110284

27. Q27279832

28. Dodecene-1 Las (for Biodegradability Of Synthetic Detergent) (jis K 3363-1990)

2.4 Create Date

2005-09-14

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₂₉NaO₃S
Molecular Weight	348.5 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	348.17351024 g/mol
Monoisotopic Mass	348.17351024 g/mol
Topological Polar Surface Area	65.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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Sodium 4-Dodecylbenzenesulfonate

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