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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

Rose Bengal Sodium

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 Formula	C₂₀H₂Cl₄I₄Na₂O₅
Molecular Weight	1017.6 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	1017.4601 g/mol
Monoisotopic Mass	1015.4631 g/mol
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	780
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	3