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Substance Name: EINECS 281-349-8
RN: 83929-57-1
InChIKey: NKODOKRNQQQZAU-UHFFFAOYSA-L

Molecular Formula

  • C38-H33-Cl-N8-O11-S3.2Na

Molecular Weight

  • 953.3389
 
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Names and Synonyms

Results Name

  • EINECS 281-349-8

Synonym

  • EINECS 281-349-8

Systematic Name

  • Dihydrogen 3-((4-((4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)amino)-7-(ethyl((3-sulphonatophenyl)methyl)amino)-5-(4-methoxy-3-sulphonatophenyl)phenazinium, disodium salt

Registry Numbers

CAS Registry Number

  • 83929-57-1

System Generated Number

  • 0083929571

Molecular Formulas

Molecular Formula

  • C38-H33-Cl-N8-O11-S3.2Na

Molecular Formula Fragments

  • C38-H33-Cl-N8-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C38H33ClN8O11S3.2Na/c1-4-46(21-22-6-5-7-27(16-22)59(48,49)50)25-10-14-29-32(19-25)47(26-11-15-33(57-2)35(20-26)61(54,55)56)31-17-23(8-12-28(31)42-29)40-30-13-9-24(18-34(30)60(51,52)53)41-37-43-36(39)44-38(45-37)58-3;;/h5-20H,4,21H2,1-3H3,(H4,41,42,43,44,45,48,49,50,51,52,53,54,55,56);;/q;2*+1/p-2

InChIKey

NKODOKRNQQQZAU-UHFFFAOYSA-L

Smiles

CCN(Cc1cccc(c1)S(=O)(=O)[O-])c2ccc3c(c2)[n+](c4cc(ccc4n3)Nc5ccc(cc5S(=O)(=O)[O-])Nc6nc(nc(n6)Cl)OC)c7ccc(c(c7)S(=O)(=O)[O-])OC.[Na+].[Na+]