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Substance Name: EINECS 273-668-6
RN: 68992-03-0
InChIKey: JPYJAZWZTPTROX-PZTLXDDZSA-I

Molecular Formula

  • C29-H19-Cl2-N9-O16-S5.5Na

Molecular Weight

  • 1090.66
 
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Names and Synonyms

Results Name

  • EINECS 273-668-6

Synonym

  • EINECS 273-668-6

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 2-((1-amino-7-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-8-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, pentasodium salt
  • 1,5-Naphthalenedisulfonic acid, 2-(2-(1-amino-7-(2-(5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-8-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:5)
  • Pentasodium 2-((1-amino-7-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-8-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 68992-03-0

System Generated Number

  • 0068992030

Molecular Formulas

Molecular Formula

  • C29-H19-Cl2-N9-O16-S5.5Na

Molecular Formula Fragments

  • C29-H19-Cl2-N9-O16-S5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H19Cl2N9O16S5.5Na/c30-27-34-28(31)36-29(35-27)33-12-4-7-18(58(45,46)47)16(10-12)38-40-24-20(60(51,52)53)9-11-8-19(59(48,49)50)23(22(32)21(11)25(24)41)39-37-15-6-5-13-14(26(15)61(54,55)56)2-1-3-17(13)57(42,43)44;;;;;/h1-10,41H,32H2,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,33,34,35,36);;;;;/q;5*+1/p-5/b39-37+,40-38+;;;;;

InChIKey

JPYJAZWZTPTROX-PZTLXDDZSA-I

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(c(c(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])\N=N\c1c(ccc(c1)Nc1nc(nc(n1)Cl)Cl)S(=O)(=O)[O-])O)N)S(=O)(=O)[O-]