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Substance Name: 1,5-Naphthalenedisulfonic acid, 2-((8-((4-chloro-6-((2-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-((2-sulfophenyl)azo)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, potassium sodium salt
RN: 84041-86-1
InChIKey: KTEBWCRPGKJHNE-DDYPKVNFSA-N

Molecular Formula

  • C44-H32-Cl2-N14-O23-S7.x-K.x-Na

Molecular Weight

  • 1482.2678
 
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Names and Synonyms

  • 1,5-Naphthalenedisulfonic acid, 2-((8-((4-chloro-6-((2-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-((2-sulfophenyl)azo)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)ethyl)amino)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 84041-86-1

System Generated Number

  • 0084041861

Molecular Formulas

Molecular Formula

  • C44-H32-Cl2-N14-O23-S7.x-K.x-Na

Molecular Formula Fragments

  • C44-H32-Cl2-N14-O23-S7
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C44H32Cl2N14O23S7.K.Na/c45-39-51-41(55-43(53-39)49-26-16-20(84(63,64)65)12-18-14-30(88(75,76)77)34(36(61)32(18)26)59-57-24-5-1-2-6-29(24)87(72,73)74)47-10-11-48-42-52-40(46)54-44(56-42)50-27-17-21(85(66,67)68)13-19-15-31(89(78,79)80)35(37(62)33(19)27)60-58-25-9-8-22-23(38(25)90(81,82)83)4-3-7-28(22)86(69,70)71;;/h1-9,12-17,61-62H,10-11H2,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,47,49,51,53,55)(H2,48,50,52,54,56);;/q;2*+1/b59-57+,60-58+;;

InChIKey

KTEBWCRPGKJHNE-DDYPKVNFSA-N

Smiles

c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)Nc4nc(nc(n4)Cl)NCCNc5nc(nc(n5)Cl)Nc6cc(cc7c6c(c(c(c7)S(=O)(=O)O)/N=N/c8ccc9c(c8S(=O)(=O)O)cccc9S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+].[K+]