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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)
RN: 71002-17-0
InChIKey: JWGGSWPDRAFICC-YWNBCNSYSA-N

Molecular Formula

  • C35-H26-Cl2-N14-O15-S4.4Na

Molecular Weight

  • 1173.8034
 
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Names and Synonyms

Synonym

  • 1-(3-((4-Chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-, tetrasodium salt
  • 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)

Registry Numbers

CAS Registry Number

  • 71002-17-0

System Generated Number

  • 0071002170

Molecular Formulas

Molecular Formula

  • C35-H26-Cl2-N14-O15-S4.4Na

Molecular Formula Fragments

  • C35-H26-Cl2-N14-O15-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C35H26Cl2N14O15S4.4Na/c1-15-21(41-35-45-31(37)44-34(47-35)40-19-7-3-5-9-24(19)69(61,62)63)13-17(67(55,56)57)14-22(15)51-28(52)26(27(50-51)29(53)54)49-48-20-11-10-16(12-25(20)70(64,65)66)38-32-42-30(36)43-33(46-32)39-18-6-2-4-8-23(18)68(58,59)60;;;;/h2-14,26H,1H3,(H,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H2,38,39,42,43,46)(H2,40,41,44,45,47);;;;/q;4*+1/b49-48+;;;;

InChIKey

JWGGSWPDRAFICC-YWNBCNSYSA-N

Smiles

Cc1c(cc(cc1N2C(=O)C(C(=N2)C(=O)O)/N=N/c3ccc(cc3S(=O)(=O)O)Nc4nc(nc(n4)Cl)Nc5ccccc5S(=O)(=O)O)S(=O)(=O)O)Nc6nc(nc(n6)Cl)Nc7ccccc7S(=O)(=O)O.[Na+].[Na+].[Na+].[Na+]