5-Sulfosalicylic Acid

Synopsis, Chemistry

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Also known as: 5-sulfosalicylic acid, Sulfosalicylic acid, 97-05-2, 5-sulphosalicylic acid, Salicylsulfonic acid, Benzoic acid, 2-hydroxy-5-sulfo-

Molecular Formula

C₇H₆O₆S

Molecular Weight

218.19 g/mol

InChI Key

YCPXWRQRBFJBPZ-UHFFFAOYSA-N

FDA UNII

L8XED79U3U

1 2D Structure

5-Sulfosalicylic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxy-5-sulfobenzoic acid

2.1.2 InChI

InChI=1S/C7H6O6S/c8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1-3,8H,(H,9,10)(H,11,12,13)

2.1.3 InChI Key

YCPXWRQRBFJBPZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

2.2 Other Identifiers

2.2.1 UNII

L8XED79U3U

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-hydroxybenzoic-5-sulfonic Acid

2. 3-carboxy-4-hydroxybenzenesulfonate

3. 3-carboxy-4-hydroxybenzenesulfonic Acid

4. 5-sulfosalicylic Acid

5. Cesium 5-sulfosalicylate

6. Phlogosam

7. Phlogosol

8. Salicylsulfonic Acid

9. Sulfosalicylic Acid

10. Sulfosalicylic Acid, Beryllium Salt (1:1)

11. Sulfosalicylic Acid, Beryllium Salt (2:1)

2.3.2 Depositor-Supplied Synonyms

1. 5-sulfosalicylic Acid

2. Sulfosalicylic Acid

3. 97-05-2

4. 5-sulphosalicylic Acid

5. Salicylsulfonic Acid

6. Benzoic Acid, 2-hydroxy-5-sulfo-

7. Salicylic Acid, Sulfo-

8. 2-hydroxybenzoic-5-sulfonic Acid

9. Benzoic Acid, 2-hydroxysulfo-

10. Sulphosalicylic Acid

11. Salicylic Acid, 5-sulfo-

12. 3-carboxy-4-hydroxybenzenesulfonic Acid

13. Nsc 190565

14. 5-sulfosalicylate

15. 5-sulfo-salicylic Acid

16. L8xed79u3u

17. Chembl229241

18. Chebi:68555

19. Nsc-190565

20. 2-hydroxy-5-sulfo-benzoic Acid

21. Wln: Wsqr Dq Cvq

22. Kalcolor Anodizing Acid

23. Sulfosalicylic Acid (van)

24. Salicylsulfonic Acid (van)

25. Sulphosalicylic Acid (van)

26. Einecs 202-555-6

27. Unii-l8xed79u3u

28. Brn 0650741

29. Cp 18121

30. Ai3-18246

31. Ai3-32582

32. Sulfo Salicylic Acid

33. Sulfosalicylic

34. Salicyl-sulfonic Acid

35. 5-sulfosalicyclic Acid

36. 2-hydroxysulfo-benzoate

37. 2-hydroxysulfo-benzoic Acid

38. Sulfosalicylic Acid Solution

39. Schembl34766

40. 2-hydroxy-5-sulfobenzoicacid

41. 4-11-00-00702 (beilstein Handbook Reference)

42. Dtxsid7059145

43. Sulfosalicylic Acid [mi]

44. Nsc4741

45. Hy-b1785

46. Nsc-4741

47. Zinc1680376

48. Bbl008587

49. Bdbm50219498

50. Nsc190565

51. Stk301570

52. Sulfosalicylic Acid [who-dd]

53. Akos000120294

54. Ac-11271

55. Cs-0013816

56. Ft-0620777

57. S0830

58. 2-hydroxy-5-sulfobenzoic Acid; Lc-tdda; Ce10

59. A845677

60. Q238569

61. W-100120

62. Z1235940936

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₆O₆S
Molecular Weight	218.19 g/mol
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	217.98850908 g/mol
Monoisotopic Mass	217.98850908 g/mol
Topological Polar Surface Area	120 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	316
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	1