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Substance Name: Benzoic acid, 4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(1-sulfo-2-naphthalenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3)
RN: 70776-19-1
InChIKey: LDAJEGCAUAHDAT-CKWCPUEPSA-K

Molecular Formula

  • C30-H20-Cl-N7-O12-S3.3Na

Molecular Weight

  • 868.1223
 
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Names and Synonyms

Synonyms

  • 4-((4-Chloro-6-((8-hydroxy-3,6-disulfo-7-((1-sulfo-2-naphthalenyl)azo)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)benzoic acid, trisodium salt
  • EINECS 274-867-0

Systematic Names

  • Benzoic acid, 4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-((1-sulfo-2-naphthalenyl)azo)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-, trisodium salt
  • Benzoic acid, 4-((4-chloro-6-((8-hydroxy-3,6-disulfo-7-(2-(1-sulfo-2-naphthalenyl)diazenyl)-1-naphthalenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:3)
  • Trisodium hydrogen 4-((4-chloro-6-((8-hydroxy-3,6-disulphonato-7-((1-sulphonato-2-naphthyl)azo)-1-naphthyl)amino)-1,3,5-triazin-2-yl)amino)benzoate

Registry Numbers

CAS Registry Number

  • 70776-19-1

System Generated Number

  • 0070776191

Molecular Formulas

Molecular Formula

  • C30-H20-Cl-N7-O12-S3.3Na

Molecular Formula Fragments

  • C30-H20-Cl-N7-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H20ClN7O12S3.3Na/c31-28-34-29(32-17-8-5-15(6-9-17)27(40)41)36-30(35-28)33-21-13-18(51(42,43)44)11-16-12-22(52(45,46)47)24(25(39)23(16)21)38-37-20-10-7-14-3-1-2-4-19(14)26(20)53(48,49)50;;;/h1-13,39H,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,32,33,34,35,36);;;/q;3*+1/p-3/b38-37+;;;

InChIKey

LDAJEGCAUAHDAT-CKWCPUEPSA-K

Smiles

c1ccc2c(c1)ccc(c2S(=O)(=O)[O-])N=Nc3c(cc4cc(cc(c4c3O)Nc5nc(nc(n5)Cl)Nc6ccc(cc6)C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]