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Substance Name: Disodium 3,3'-((2,2'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chlorobenzenesulphonate)
RN: 89923-60-4
InChIKey: BLZZLGFKNHZOGL-DVDDBBOFSA-L

Molecular Formula

  • C34-H28-Cl2-N8-O8-S2.2Na

Molecular Weight

  • 855.6454
 
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Names and Synonyms

Synonym

  • EINECS 289-549-7

Systematic Names

  • Benzenesulfonic acid, 3,3'-((2,2'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium salt
  • Disodium 3,3'-((2,2'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chlorobenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 89923-60-4

System Generated Number

  • 0089923604

Molecular Formulas

Molecular Formula

  • C34-H28-Cl2-N8-O8-S2.2Na

Molecular Formula Fragments

  • C34-H28-Cl2-N8-O8-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H28Cl2N8O8S2.2Na/c1-17-13-21(37-39-31-19(3)41-43(33(31)45)29-15-23(53(47,48)49)7-11-27(29)35)5-9-25(17)26-10-6-22(14-18(26)2)38-40-32-20(4)42-44(34(32)46)30-16-24(54(50,51)52)8-12-28(30)36;;/h5-16,31-32H,1-4H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2/b39-37+,40-38+;;

InChIKey

BLZZLGFKNHZOGL-DVDDBBOFSA-L

Smiles

[Na+].[Na+].CC1=NN(C(=O)C1N=Nc2ccc(c(C)c2)c3ccc(cc3C)N=NC4C(=NN(C4=O)c5cc(ccc5Cl)S(=O)(=O)[O-])C)c6cc(ccc6Cl)S(=O)(=O)[O-]