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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-(2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl)-3-hydroxy-, barium salt (2:3)
RN: 68959-10-4
InChIKey: XNQTVNKHGQNOQM-ZELMBCLWSA-H

Molecular Formula

  • C17-H13-Cl-N2-O10-S3.3/2Ba

Molecular Weight

  • 1479.83
 
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Names and Synonyms

Synonym

  • EINECS 273-396-8

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-((5-chloro-4-methyl-2-sulfophenyl)azo)-3-hydroxy-, barium salt (2:3)
  • 2,7-Naphthalenedisulfonic acid, 4-(2-(5-chloro-4-methyl-2-sulfophenyl)diazenyl)-3-hydroxy-, barium salt (2:3)
  • Tribarium bis(4-((5-chloro-4-methyl-2-sulphonatophenyl)azo)-3-hydroxynaphthalene-2,7-disulphonate)

Registry Numbers

CAS Registry Number

  • 68959-10-4

System Generated Number

  • 0068959104

Molecular Formulas

Molecular Formula

  • C17-H13-Cl-N2-O10-S3.3/2Ba

Molecular Formula Fragments

  • Ba
  • C17-H13-Cl-N2-O10-S3
  • COMPONENT

Structure Descriptors

InChI

1S/2C17H13ClN2O10S3.3Ba/c2*1-8-4-14(32(25,26)27)13(7-12(8)18)19-20-16-11-3-2-10(31(22,23)24)5-9(11)6-15(17(16)21)33(28,29)30;;;/h2*2-7,21H,1H3,(H,22,23,24)(H,25,26,27)(H,28,29,30);;;/q;;3*+2/p-6/b2*20-19+;;;

InChIKey

XNQTVNKHGQNOQM-ZELMBCLWSA-H

Smiles

c12ccc(cc2cc(c(c1\N=N\c1cc(Cl)c(C)cc1S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].c12ccc(cc2cc(c(c1\N=N\c1cc(Cl)c(C)cc1S(=O)(=O)[O-])O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].[Ba+2]