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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
RN: 84045-65-8
InChIKey: IZALFJAIUFACHU-CKWCPUEPSA-K

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C31-H24-Cl-N7-O10-S3.3Na

Molecular Weight

  • 852.167
 
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Names and Synonyms

Synonym

  • EINECS 281-866-9

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((1-sulfo-2-naphthalenyl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((1-sulphonato-2-naphthyl)azo)naphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 84045-65-8

System Generated Number

  • 0084045658

Molecular Formulas

Molecular Formula

  • C31-H24-Cl-N7-O10-S3.3Na

Molecular Formula Fragments

  • C31-H24-Cl-N7-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H24ClN7O10S3.3Na/c1-2-39(19-9-4-3-5-10-19)31-35-29(32)34-30(36-31)33-23-16-20(50(41,42)43)14-18-15-24(51(44,45)46)26(27(40)25(18)23)38-37-22-13-12-17-8-6-7-11-21(17)28(22)52(47,48)49;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3/b38-37+;;;

InChIKey

IZALFJAIUFACHU-CKWCPUEPSA-K

Smiles

[Na+].[Na+].[Na+].c1c(c(c(c2c(cc(cc12)S(=O)(=O)[O-])Nc1nc(nc(n1)Cl)N(c1ccccc1)CC)O)\N=N\c1c(c2ccccc2cc1)S(=O)(=O)[O-])S(=O)(=O)[O-]