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Substance Name: 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-, sodium salt (1:4)
RN: 71113-18-3
InChIKey: LPEINYYLAYPWSP-YWNBCNSYSA-J

Molecular Formula

  • C35-H26-Cl2-N14-O15-S4.4Na

Molecular Weight

  • 1169.77
 
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Names and Synonyms

Synonyms

  • 1-(3-((4-Chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, tetrasodium salt
  • EINECS 275-197-1

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 1-(3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-((4-((4-chloro-6-((3-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-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-methyl-5-sulfophenyl)-4-(2-(4-((4-chloro-6-((3-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

  • 71113-18-3

System Generated Number

  • 0071113183

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

InChIKey

LPEINYYLAYPWSP-YWNBCNSYSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].N1(N=C([C@@H](C1=O)\N=N\c1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])c1c(c(cc(c1)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)O)C