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Substance Name: Dihydrogen 3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-sulphonatophenyl)phenazinium, disodium salt
RN: 83949-27-3
InChIKey: ILGHAAGDHJQEPS-UHFFFAOYSA-L

Molecular Formula

  • C36-H28-Cl2-N8-O9-S3.2Na

Molecular Weight

  • 927.7324
 
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Names and Synonyms

Synonym

  • EINECS 281-387-5

Systematic Names

  • Dihydrogen 3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-sulphonatophenyl)phenazinium, disodium salt
  • Phenazinium, 3-((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-7-(ethyl((3-sulfophenyl)methyl)amino)-5-(4-sulfophenyl)-, hydroxide, inner salt, disodium salt

Registry Numbers

CAS Registry Number

  • 83949-27-3

System Generated Number

  • 0083949273

Molecular Formulas

Molecular Formula

  • C36-H28-Cl2-N8-O9-S3.2Na

Molecular Formula Fragments

  • C36-H28-Cl2-N8-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H28Cl2N8O9S3.2Na/c1-2-45(20-21-4-3-5-27(16-21)57(50,51)52)25-10-15-29-32(19-25)46(24-8-11-26(12-9-24)56(47,48)49)31-17-22(6-13-28(31)41-29)39-30-14-7-23(18-33(30)58(53,54)55)40-36-43-34(37)42-35(38)44-36;;/h3-19H,2,20H2,1H3,(H4,40,41,42,43,44,47,48,49,50,51,52,53,54,55);;/q;2*+1/p-2

InChIKey

ILGHAAGDHJQEPS-UHFFFAOYSA-L

Smiles

CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3c(c2)[n+](c4cc(ccc4n3)Nc5ccc(cc5S(=O)(=O)[O-])Nc6nc(nc(n6)Cl)Cl)c7ccc(cc7)S(=O)(=O)[O-].[Na+].[Na+]