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Substance Name: 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-(2-(2-oxo-1-(((4-sulfo-1-naphthalenyl)amino)carbonyl)propyl)diazenyl)-3-sulfophenyl)-, sodium salt (1:3)
RN: 40842-88-4
InChIKey: PEEWJYPSHMSKEY-YIWBEPSUSA-K

Molecular Formula

  • C28-H22-N4-O11-S4.3Na

Molecular Weight

  • 784.709
 
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Names and Synonyms

Synonym

  • EINECS 255-105-6

Systematic Names

  • 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-((2-oxo-1-(((4-sulfo-1-naphthalenyl)amino)carbonyl)propyl)azo)-3-sulfophenyl)-, trisodium salt
  • 7-Benzothiazolesulfonic acid, 6-methyl-2-(4-(2-(2-oxo-1-(((4-sulfo-1-naphthalenyl)amino)carbonyl)propyl)diazenyl)-3-sulfophenyl)-, sodium salt (1:3)
  • Trisodium 6-methyl-2-(4-((2-oxo-1-(((4-sulphonato-1-naphthyl)amino)carbonyl)propyl)azo)-3-sulphonatophenyl)benzothiazole-7-sulphonate

Registry Numbers

CAS Registry Number

  • 40842-88-4

System Generated Number

  • 0040842884

Molecular Formulas

Molecular Formula

  • C28-H22-N4-O11-S4.3Na

Molecular Formula Fragments

  • C28-H22-N4-O11-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C28H22N4O11S4.3Na/c1-14-7-9-21-25(26(14)47(41,42)43)44-28(30-21)16-8-10-20(23(13-16)46(38,39)40)31-32-24(15(2)33)27(34)29-19-11-12-22(45(35,36)37)18-6-4-3-5-17(18)19;;;/h3-13,24H,1-2H3,(H,29,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3/b32-31+;;;

InChIKey

PEEWJYPSHMSKEY-YIWBEPSUSA-K

Smiles

[Na+].[Na+].[Na+].s1c(nc2c1c(c(cc2)C)S(=O)(=O)[O-])c1cc(c(cc1)\N=N\[C@@H](C(C)=O)C(=O)Nc1ccc(c2ccccc12)S(=O)(=O)[O-])S(=O)(=O)[O-]