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Substance Name: 4-((4'-((2,4-Dihydroxy-5-((4-sulphophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
RN: 94199-53-8
InChIKey: WEAMVHYEHBKHMG-AQOMXBTRSA-K

Molecular Formula

  • C34-H24-N8-O11-S2.x-Na

Molecular Weight

  • 850.6869
 
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Names and Synonyms

Synonym

  • EINECS 303-426-8

Systematic Name

  • 4-((4'-((2,4-Dihydroxy-5-((4-sulphophenyl)azo)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 94199-53-8

System Generated Number

  • 0094199538

Molecular Formulas

Molecular Formula

  • C34-H24-N8-O11-S2.x-Na

Molecular Formula Fragments

  • C34-H24-N8-O11-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H24N8O11S2.3Na/c43-29-18-30(44)28(39-36-23-9-13-25(14-10-23)54(48,49)50)17-27(29)38-35-21-5-1-19(2-6-21)20-3-7-22(8-4-20)37-40-31-32(34(46)47)41-42(33(31)45)24-11-15-26(16-12-24)55(51,52)53;;;/h1-18,31,43-44H,(H,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3/b38-35+,39-36+,40-37+;;;

InChIKey

WEAMVHYEHBKHMG-AQOMXBTRSA-K

Smiles

C1(=NN(C(=O)C1/N=N/c1ccc(c2ccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)[O-])cc4)c(cc3O)O)cc2)cc1)c1ccc(S(=O)(=O)[O-])cc1)C(=O)[O-].[Na+].[Na+].[Na+]