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Substance Name: 1,4-Benzenedisulfonic acid, 2-(2-(4-(2-(4-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:3)
RN: 71033-20-0
InChIKey: DOUWVCGSSDIRFI-QUINMQOZSA-K

Molecular Formula

  • C31-H29-Cl-N8-O11-S3.3Na

Molecular Weight

  • 887.212
 
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Names and Synonyms

Synonyms

  • 2-((4-((4-((4-Chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-1,4-benzenedisulfonic acid, trisodium salt
  • EINECS 275-150-5

Systematic Names

  • 1,4-Benzenedisulfonic acid, 2-((4-((4-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-, trisodium salt
  • 1,4-Benzenedisulfonic acid, 2-(2-(4-(2-(4-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 2-((4-((4-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 71033-20-0

System Generated Number

  • 0071033200

Molecular Formulas

Molecular Formula

  • C31-H29-Cl-N8-O11-S3.3Na

Molecular Formula Fragments

  • C31-H29-Cl-N8-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H29ClN8O11S3.3Na/c1-4-50-12-13-51-31-35-29(32)34-30(36-31)33-22-10-9-21(20-6-5-7-27(28(20)22)54(47,48)49)37-38-23-14-18(3)24(15-17(23)2)39-40-25-16-19(52(41,42)43)8-11-26(25)53(44,45)46;;;/h5-11,14-16H,4,12-13H2,1-3H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3/b38-37+,40-39+;;;

InChIKey

DOUWVCGSSDIRFI-QUINMQOZSA-K

Smiles

[Na+].[Na+].[Na+].c1(c(cc(cc1)S(=O)(=O)[O-])\N=N\c1c(cc(c(c1)C)\N=N\c1ccc(c2c(cccc12)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)OCCOCC)C)S(=O)(=O)[O-]