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Substance Name: EINECS 273-663-9
RN: 68991-99-1
InChIKey: YRHAQMOYSPBQTN-PYMJNURDSA-I

Molecular Formula

  • C34-H24-Cl2-N12-O16-S5.5Na

Molecular Weight

  • 1197.78
 
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Names and Synonyms

Results Name

  • EINECS 273-663-9

Synonym

  • EINECS 273-663-9

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, pentasodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:5)

Registry Numbers

CAS Registry Number

  • 68991-99-1

System Generated Number

  • 0068991991

Molecular Formulas

Molecular Formula

  • C34-H24-Cl2-N12-O16-S5.5Na

Molecular Formula Fragments

  • C34-H24-Cl2-N12-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-20(24(13-17)68(59,60)61)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-21-6-1-2-7-23(21)67(56,57)58;;;;;/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5/b48-47+;;;;;

InChIKey

YRHAQMOYSPBQTN-PYMJNURDSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)Nc1c(cc(cc1)Nc1nc(nc(n1)Cl)Nc1cc(ccc1)S(=O)(=O)[O-])S(=O)(=O)[O-])O)\N=N\c1c(cccc1)S(=O)(=O)[O-])S(=O)(=O)[O-]