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Substance Name: Chromate(5-), bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(4-))-, sodium hydrogen (1:4:1)
RN: 70776-54-4
InChIKey: ZOZCECXQZHGEMK-KFKLQTDTSA-G

Molecular Formula

  • C38-H18-Cl2-Cr-N16-O20-S4.H.4Na

Molecular Weight

  • 1362.7861
 
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Names and Synonyms

Synonyms

  • 5-((4-Amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)azo)-2,7-naphthalenedisulfonic acid, chromium complex (2:1), tetrasodium salt
  • EINECS 274-870-7

Systematic Names

  • Chromate(5-), bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-(hydroxy-kappaO)-3-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-2,7-naphthalenedisulfonato(4-))-, sodium hydrogen (1:4:1)
  • Chromate(5-), bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)azo)-2,7-naphthalenedisulfonato(4-))-, tetrasodium hydrogen
  • Tetrasodium hydrogen bis(5-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-hydroxy-5-nitrophenyl)azo)naphthalene-2,7-disulphonato(4-))chromate(5-)

Registry Numbers

CAS Registry Number

  • 70776-54-4

System Generated Number

  • 0070776544

Molecular Formulas

Molecular Formula

  • C38-H18-Cl2-Cr-N16-O20-S4.H.4Na

Molecular Formula Fragments

  • C38-H18-Cl2-Cr-N16-O20-S4
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/2C19H13ClN8O10S2.Cr.4Na/c2*20-17-23-18(21)25-19(24-17)22-11-6-9(39(33,34)35)3-7-4-13(40(36,37)38)15(16(30)14(7)11)27-26-10-5-8(28(31)32)1-2-12(10)29;;;;;/h2*1-6,29-30H,(H,33,34,35)(H,36,37,38)(H3,21,22,23,24,25);;;;;/q;;+3;4*+1/p-7/b2*27-26+;;;;;

InChIKey

ZOZCECXQZHGEMK-KFKLQTDTSA-G

Smiles

[H+].c1c(cc\2c(c1)O[Cr-5]34567(OS(=O)(=O)c8c(c(c9c(cc(cc9c8)S(=O)(=O)O3)Nc1nc(nc(n1)N)Cl)O4)/N=N/c1c(ccc(c1)[N+](=O)[O-])O5)OS(=O)(=O)c1c(c(c3c(cc(cc3c1)S(=O)(=O)O6)Nc1nc(nc(n1)N)Cl)O7)/N=N2)[N+](=O)[O-].[Na+].[Na+].[Na+].[Na+]