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Substance Name: Tetrasodium 3-((5-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4-hydroxy-6-((3-sulphonatophenyl)amino)naphthalene-2-sulphonate
RN: 79809-26-0
InChIKey: AHVQFIVLXIXFPB-OKALGFFKSA-J

Molecular Formula

  • C33-H27-Cl-N8-O16-S5.4Na

Molecular Weight

  • 1075.3277
 
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Names and Synonyms

Synonym

  • EINECS 279-276-1

Systematic Name

  • Tetrasodium 3-((5-((4-chloro-6-((3-((2-(sulphonatooxy)ethyl)sulphonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4-hydroxy-6-((3-sulphonatophenyl)amino)naphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 79809-26-0

System Generated Number

  • 0079809260

Molecular Formulas

Molecular Formula

  • C33-H27-Cl-N8-O16-S5.4Na

Molecular Formula Fragments

  • C33-H27-Cl-N8-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H27ClN8O16S5.4Na/c34-31-38-32(36-20-4-1-5-23(14-20)59(44,45)12-11-58-63(55,56)57)40-33(39-31)37-22-9-10-27(61(49,50)51)26(17-22)41-42-29-28(62(52,53)54)13-18-7-8-21(16-25(18)30(29)43)35-19-3-2-6-24(15-19)60(46,47)48;;;;/h1-10,13-17,35,43H,11-12H2,(H,46,47,48)(H,49,50,51)(H,52,53,54)(H,55,56,57)(H2,36,37,38,39,40);;;;/q;4*+1/p-4/b42-41+;;;;

InChIKey

AHVQFIVLXIXFPB-OKALGFFKSA-J

Smiles

c1cc(cc(c1)S(=O)(=O)[O-])Nc2ccc3cc(c(c(c3c2)O)/N=N/c4cc(ccc4S(=O)(=O)[O-])Nc5nc(nc(n5)Cl)Nc6cccc(c6)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]