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    Calcium Polystyrene Sulfonate

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    2D Structure
    Also known as: 37286-92-3, Calciumpolystyrenesulphonate, Calcium;2-ethenylbenzenesulfonate, Kalimate, Kmp-ca, Calcium polystyrene sulfonate [jan]
    Molecular Formula
    C8H7CaO3S+
    Molecular Weight
    223.28  g/mol
    InChI Key
    IJBYVKWTVVYTPL-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;2-ethenylbenzenesulfonate
    2.1.2 InChI
    InChI=1S/C8H8O3S.Ca/c1-2-7-5-3-4-6-8(7)12(9,10)11;/h2-6H,1H2,(H,9,10,11);/q;+2/p-1
    2.1.3 InChI Key
    IJBYVKWTVVYTPL-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C=CC1=CC=CC=C1S(=O)(=O)[O-].[Ca+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Calcium Resonium

    2. Kalimate

    3. Kayexalate

    4. Poly(styrenesulfonate)

    5. Polystyrene Sulfonate

    6. Polystyrene Sulfonic Acid

    7. Polystyrene Sulfonic Acid, Homopolymer, Calcium Salt

    8. Psso3

    9. Resonium-a

    2.2.2 Depositor-Supplied Synonyms

    1. 37286-92-3

    2. Calciumpolystyrenesulphonate

    3. Calcium;2-ethenylbenzenesulfonate

    4. Kalimate

    5. Kmp-ca

    6. Calcium Polystyrene Sulfonate [jan]

    7. Calcium Salt Of Sulfonated Styrene Polymer

    8. Unii-hui2s00793

    9. Benzenesulfonic Acid, Ethenyl-, Homopolymer, Calcium Salt

    10. Hui2s00793

    11. B2699-019837

    12. Calcium Polystyrene Sulfonate (poly(styrenesulfonic Acid) Calcium Salt)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 223.28 g/mol
    Molecular Formula C8H7CaO3S+
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass222.9741811 g/mol
    Monoisotopic Mass222.9741811 g/mol
    Topological Polar Surface Area65.6 Ų
    Heavy Atom Count13
    Formal Charge1
    Complexity237
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cation Exchange Resins

    High molecular weight insoluble polymers which contain functional anionic groups that are capable of undergoing exchange reactions with cations. (See all compounds classified as Cation Exchange Resins.)

    Chelating Agents

    Chemicals that bind to and remove ions from solutions. Many chelating agents function through the formation of COORDINATION COMPLEXES with METALS. (See all compounds classified as Chelating Agents.)