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Substance Name: Benzoic acid, 5-(4,5-dihydro-4-(2-(2-hydroxy-3,5-disulfophenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-2-hydroxy-, sodium salt (1:3)
RN: 72152-57-9
InChIKey: GOMNBXCBXANUHG-HRBIVCMLSA-K

Molecular Formula

  • C16-H12-N4-O11-S2.3Na

Molecular Weight

  • 566.3661
 
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Names and Synonyms

  • Benzoic acid, 5-(4,5-dihydro-4-((2-hydroxy-3,5-disulfophenyl)azo)-5-oxo-1H-pyrazol-1-yl)-2-hydroxy-, trisodium salt
  • Benzoic acid, 5-(4,5-dihydro-4-(2-(2-hydroxy-3,5-disulfophenyl)diazenyl)-5-oxo-1H-pyrazol-1-yl)-2-hydroxy-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 72152-57-9

System Generated Number

  • 0072152579

Molecular Formulas

Molecular Formula

  • C16-H12-N4-O11-S2.3Na

Molecular Formula Fragments

  • C16-H12-N4-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H12N4O11S2.3Na/c21-12-2-1-7(3-9(12)16(24)25)20-15(23)11(6-17-20)19-18-10-4-8(32(26,27)28)5-13(14(10)22)33(29,30)31;;;/h1-6,11,21-22H,(H,24,25)(H,26,27,28)(H,29,30,31);;;/q;3*+1/p-3/b19-18+;;;

InChIKey

GOMNBXCBXANUHG-HRBIVCMLSA-K

Smiles

c1cc(c(cc1N2C(=O)C(C=N2)/N=N/c3cc(cc(c3O)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])O.[Na+].[Na+].[Na+]