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Substance Name: Trisodium 4-((4-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
RN: 94021-11-1
InChIKey: FTOCPJRXQWSUBX-VXRLNINASA-K

Molecular Formula

  • C21-H13-Cl2-N7-O10-S2.3Na

Molecular Weight

  • 724.357
 
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Names and Synonyms

Synonym

  • EINECS 301-404-2

Systematic Name

  • Trisodium 4-((4-(((3,6-dichloropyridazin-4-yl)carbonyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 94021-11-1

System Generated Number

  • 0094021111

Molecular Formulas

Molecular Formula

  • C21-H13-Cl2-N7-O10-S2.3Na

Molecular Formula Fragments

  • C21-H13-Cl2-N7-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H13Cl2N7O10S2.3Na/c22-15-8-12(18(23)28-26-15)19(31)24-9-1-6-13(14(7-9)42(38,39)40)25-27-16-17(21(33)34)29-30(20(16)32)10-2-4-11(5-3-10)41(35,36)37;;;/h1-8,16H,(H,24,31)(H,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b27-25+;;;

InChIKey

FTOCPJRXQWSUBX-VXRLNINASA-K

Smiles

C1(=NN(C(=O)C1/N=N/c1c(S(=O)(=O)[O-])cc(NC(=O)c2c(nnc(c2)Cl)Cl)cc1)c1ccc(S(=O)(=O)[O-])cc1)C(=O)[O-].[Na+].[Na+].[Na+]