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Substance Name: Chromate(4-), (2-(2-(7-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-sulfobenzoato(4-))(3-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2-hydroxy-5-nitrobenzenesulfonato(3-))-, sodium hydrogen (1:3:1)
RN: 70900-26-4
InChIKey: BOGJTMAVYDPIRA-AQTBREJTSA-I

Molecular Formula

  • C36-H18-Cl2-Cr-N11-O16-S3.H.3Na

Molecular Weight

  • 1149.6771
 
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Names and Synonyms

  • Chromate(4-), (2-((7-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-5-sulfobenzoato(4-))(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxy-5-nitrobenzenesulfonato(3-))-, trisodium hydrogen
  • Chromate(4-), (2-(2-(7-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-5-sulfobenzoato(4-))(3-(2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2-hydroxy-5-nitrobenzenesulfonato(3-))-, sodium hydrogen (1:3:1)

Registry Numbers

CAS Registry Number

  • 70900-26-4

System Generated Number

  • 0070900264

Molecular Formulas

Molecular Formula

  • C36-H18-Cl2-Cr-N11-O16-S3.H.3Na

Molecular Formula Fragments

  • C36-H18-Cl2-Cr-N11-O16-S3
  • COMPONENT
  • H
  • Na

Structure Descriptors

InChI

1S/C20H12Cl2N6O9S2.C16H12N5O7S.Cr.3Na/c21-18-24-19(22)26-20(25-18)23-9-2-1-8-5-14(39(35,36)37)15(16(29)11(8)6-9)28-27-13-4-3-10(38(32,33)34)7-12(13)17(30)31;1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;;;;/h1-7,29H,(H,30,31)(H,32,33,34)(H,35,36,37)(H,23,24,25,26);2-8,22H,1H3,(H,26,27,28);;;;/q;;+2;3*+1/p-5/b28-27+;18-17+;;;;

InChIKey

BOGJTMAVYDPIRA-AQTBREJTSA-I

Smiles

[H+].CC1=NN(C(=O)C12N=Nc3cc(cc4c3O[Cr-4]2567(Oc8c9cc(ccc9cc(c8/N=N/c1ccc(cc1C(=O)O5)S(=O)(=O)O6)S(=O)(=O)O7)Nc1nc(nc(n1)Cl)Cl)OS4(=O)=O)[N+](=O)[O-])c1ccccc1.[Na+].[Na+].[Na+]