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Substance Name: Procion blue M-3GS
RN: 72139-14-1
InChIKey: QVDFDCWLEKWNMS-KGMXHPFTSA-K

Molecular Formula

  • C26-H17-Cl2-N7-O10-S2.3Na

Molecular Weight

  • 788.444
 
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Names and Synonyms

Results Name

  • Procion blue M-3GS

Synonyms

  • 3-Carboxy-4-((5-(((2,3-dichloroquinoxalin-6-yl)carbonyl)amino)-2-sulfophenyl)azo)-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazole, trisodium salt
  • C.I. Reactive Yellow 25
  • EINECS 276-370-4
  • Procion blue M-3GS

Systematic Names

  • 1H-Pyrazole-3-carboxylic acid, 4-((5-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-, trisodium salt
  • 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-, sodium salt (1:3)
  • Trisodium 4-((5-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-1-(2-methyl-4-sulphonatophenyl)-5-oxo-1H-pyrazole-3-carboxylate

Registry Numbers

CAS Registry Number

  • 72139-14-1

Other Registry Numbers

  • 12226-52-7
  • 72528-75-7

System Generated Number

  • 0072139141

Molecular Formulas

Molecular Formula

  • C26-H17-Cl2-N7-O10-S2.3Na

Molecular Formula Fragments

  • C26-H17-Cl2-N7-O10-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H17Cl2N7O10S2.3Na/c1-11-8-14(46(40,41)42)4-6-18(11)35-25(37)20(21(34-35)26(38)39)33-32-17-10-13(3-7-19(17)47(43,44)45)29-24(36)12-2-5-15-16(9-12)31-23(28)22(27)30-15;;;/h2-10,20H,1H3,(H,29,36)(H,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3/b33-32+;;;

InChIKey

QVDFDCWLEKWNMS-KGMXHPFTSA-K

Smiles

[Na+].[Na+].[Na+].N1(N=C([C@@H](C1=O)\N=N\c1c(ccc(c1)NC(=O)c1cc2nc(c(nc2cc1)Cl)Cl)S(=O)(=O)[O-])C(=O)[O-])c1c(cc(cc1)S(=O)(=O)[O-])C