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    Rose Bengal Sodium

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    2D Structure
    Also known as: 632-69-9, Rose bengal disodium salt, Rose bengal sodium salt, Food red no. 105, sodium salt, Pv 10, Rose bengal (sodium salt)(1:2)
    Molecular Formula
    C20H2Cl4I4Na2O5
    Molecular Weight
    1017.6  g/mol
    InChI Key
    KCQREHTWEUECQT-UHFFFAOYSA-L
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate
    2.1.2 InChI
    InChI=1S/C20H4Cl4I4O5.2Na/c21-9-7-8(10(22)12(24)11(9)23)20(33-19(7)31)3-1-5(25)15(29)13(27)17(3)32-18-4(20)2-6(26)16(30)14(18)28;;/h1-2,29-30H;;/q;2*+1/p-2
    2.1.3 InChI Key
    KCQREHTWEUECQT-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=C2C(=C(C(=C1I)[O-])I)OC3=C(C(=C(C=C3C24C5=C(C(=C(C(=C5Cl)Cl)Cl)Cl)C(=O)O4)I)[O-])I.[Na+].[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 632-69-9

    2. Rose Bengal Disodium Salt

    3. Rose Bengal Sodium Salt

    4. Food Red No. 105, Sodium Salt

    5. Pv 10

    6. Rose Bengal (sodium Salt)(1:2)

    7. Disodium;4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzofuran-1,9'-xanthene]-3',6'-diolate

    8. Spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, Disodium Salt

    9. R105 Sodium

    10. Spiro[isobenzofuran-1(3h),9'-[9h]xanthen]-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, Disodium Salt

    11. Rose-bengal (131 I) Natrium

    12. Einecs 211-183-3

    13. Food Red Color No. 105, Sodium Salt

    14. Rosa Bengala

    15. Rosa Bengala Sodica (131 I)

    16. Unii-956575sn5l

    17. Rosa Bengala Sodica (131 I) [inn-spanish]

    18. Rose Bengale (131 I) Sodique

    19. Rose Bengale (131 I) Sodique [inn-french]

    20. Sel Disodique De Rose Bengale Iodee (131 I)

    21. Rosa Del Bengala

    22. Roseum Bengalense (131 I) Natricum [inn-latin]

    23. Roseum Bengalense (131 I) Natricum

    24. Starbld0000625

    25. 2,4,5,7-tetraido(m,p,o',m')tetrachlorofluorescein, Disodium Salt

    26. Acid Red 94 Disodium Salt

    27. 9-(3',4',5',6'-tetrachloro-o-carboxyphenyl)-6-hydroxy-2,4,5,7-tetraiodo-3-isoxanthone 2na

    28. Schembl578598

    29. Dtxsid4022814

    30. Amy22412

    31. Mfcd00151169

    32. Akos016010325

    33. Nsc 270091

    34. As-14855

    35. Ft-0621857

    36. F20361

    37. 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodofluorescein Disodium Salt (rose Bengal)

    38. Disodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxospiro[2-benzo[b]furan-1,9'-xanthene]-3',6'-diolate

    39. Sodium 4,5,6,7-tetrachloro-2',4',5',7'-tetraiodo-3-oxo-3h-spiro[isobenzofuran-1,9'-xanthene]-3',6'-bis(olate)

    40. Spiro(isobenzofuran-1(3h),9'-(9h)xanthen)-3-one, 4,5,6,7-tetrachloro-3',6'-dihydroxy-2',4',5',7'-tetraiodo-, Sodium Salt (1:2)

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 1017.6 g/mol
    Molecular Formula C20H2Cl4I4Na2O5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass1017.4601 g/mol
    Monoisotopic Mass1015.4631 g/mol
    Topological Polar Surface Area81.6 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity780
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3