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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:?)
RN: 62121-78-2
InChIKey: HYBWAGNQHLFFAQ-YTUOQTOSSA-K

Molecular Formula

  • C22-H15-Cl2-N7-O10-S2.x-Na

Molecular Weight

  • 738.3838
 
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Names and Synonyms

Synonym

  • 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfo-phenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-, sodium salt

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-((2-sulfophenyl)azo)-, sodium salt
  • 1H-Pyrazole-3-carboxylic acid, 1-(5-(((3,6-dichloro-4-pyridazinyl)carbonyl)amino)-2-methyl-3-sulfophenyl)-4,5-dihydro-5-oxo-4-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 62121-78-2

System Generated Number

  • 0062121782

Molecular Formulas

Molecular Formula

  • C22-H15-Cl2-N7-O10-S2.x-Na

Molecular Formula Fragments

  • C22-H15-Cl2-N7-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H15Cl2N7O10S2.3Na/c1-9-13(6-10(7-15(9)43(39,40)41)25-20(32)11-8-16(23)27-29-19(11)24)31-21(33)17(18(30-31)22(34)35)28-26-12-4-2-3-5-14(12)42(36,37)38;;;/h2-8,17H,1H3,(H,25,32)(H,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3/b28-26+;;;

InChIKey

HYBWAGNQHLFFAQ-YTUOQTOSSA-K

Smiles

Cc1c(cc(cc1S(=O)(=O)[O-])NC(=O)c2cc(nnc2Cl)Cl)N3C(=O)C(C(=N3)C(=O)[O-])/N=N/c4ccccc4S(=O)(=O)[O-].[Na+].[Na+].[Na+]