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Substance Name: Dibarium 6,6'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxynaphthalene-1,3-disulphonate)
RN: 85721-17-1
InChIKey: ZXZUTQJLJJVANU-DVDDBBOFSA-J

Molecular Formula

  • C34-H28-N6-O16-S4.2Ba

Molecular Weight

  • 1175.5136
 
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Names and Synonyms

Synonym

  • EINECS 288-428-6

Systematic Name

  • Dibarium 6,6'-((3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(4-amino-5-hydroxynaphthalene-1,3-disulphonate)

Registry Numbers

CAS Registry Number

  • 85721-17-1

System Generated Number

  • 0085721171

Molecular Formulas

Molecular Formula

  • C34-H28-N6-O16-S4.2Ba

Molecular Formula Fragments

  • Ba
  • C34-H28-N6-O16-S4
  • COMPONENT

Structure Descriptors

InChI

1S/C34H28N6O16S4.2Ba/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;/q;2*+2/p-4/b39-37+,40-38+;;

InChIKey

ZXZUTQJLJJVANU-DVDDBBOFSA-J

Smiles

c1(S(=O)(=O)[O-])c(c2c(c(S(=O)(=O)[O-])c1)ccc(c2O)/N=N/c1c(cc(c2cc(c(/N=N/c3c(c4c(c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c4cc3)N)O)cc2)OC)cc1)OC)N.[Ba+2].[Ba+2]