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Substance Name: Disodium hydrogen 4,5-dihydro-5-oxo-4-((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-1-(3-sulphonatophenyl)-1H-pyrazole-3-carboxylate
RN: 84030-06-8
InChIKey: TXOUIJIHIWFYOF-LLIZZRELSA-L

Molecular Formula

  • C18-H16-N4-O12-S3.2Na

Molecular Weight

  • 620.5026
 
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Names and Synonyms

Synonym

  • EINECS 281-777-5

Systematic Name

  • Disodium hydrogen 4,5-dihydro-5-oxo-4-((4-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)azo)-1-(3-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 84030-06-8

System Generated Number

  • 0084030068

Molecular Formulas

Molecular Formula

  • C18-H16-N4-O12-S3.2Na

Molecular Formula Fragments

  • C18-H16-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H16N4O12S3.2Na/c23-17-15(16(18(24)25)21-22(17)12-2-1-3-14(10-12)36(28,29)30)20-19-11-4-6-13(7-5-11)35(26,27)9-8-34-37(31,32)33;;/h1-7,10,15H,8-9H2,(H,24,25)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b20-19+;;

InChIKey

TXOUIJIHIWFYOF-LLIZZRELSA-L

Smiles

c1cc(cc(c1)S(=O)(=O)[O-])N2C(=O)C(C(=N2)C(=O)O)/N=N/c3ccc(cc3)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+]