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    Sodium 4-Dodecylbenzenesulfonate

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    2D Structure
    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

    2D Structure

    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 Weight 348.5 g/mol
    Molecular Formula C18H29NaO3S
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count12
    Exact Mass348.17351024 g/mol
    Monoisotopic Mass348.17351024 g/mol
    Topological Polar Surface Area65.6 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity357
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2