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Substance Name: 7-Benzothiazolesulfonic acid, 2-(4-(2-(6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)-6-methyl-, sodium salt (1:3)
RN: 6417-31-8
InChIKey: JWFOTJIXWCVMRP-MDMSKSMXSA-K

Molecular Formula

  • C33-H26-N6-O12-S4.3Na

Molecular Weight

  • 892.809
 
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Names and Synonyms

Synonym

  • EINECS 229-135-5

Systematic Names

  • 7-Benzothiazolesulfonic acid, 2-(4-((6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-sulfophenyl)-6-methyl-, trisodium salt
  • 7-Benzothiazolesulfonic acid, 2-(4-(2-(6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-sulfophenyl)-6-methyl-, sodium salt (1:3)
  • Trisodium 2-(4-((6-((((4-(acetamido)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate

Registry Numbers

CAS Registry Number

  • 6417-31-8

System Generated Number

  • 0006417318

Molecular Formulas

Molecular Formula

  • C33-H26-N6-O12-S4.3Na

Molecular Formula Fragments

  • C33-H26-N6-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C33H26N6O12S4.3Na/c1-16-3-11-25-30(31(16)55(49,50)51)52-32(37-25)18-4-12-24(26(14-18)53(43,44)45)38-39-28-27(54(46,47)48)15-19-13-22(9-10-23(19)29(28)41)36-33(42)35-21-7-5-20(6-8-21)34-17(2)40;;;/h3-15,41H,1-2H3,(H,34,40)(H2,35,36,42)(H,43,44,45)(H,46,47,48)(H,49,50,51);;;/q;3*+1/p-3/b39-38+;;;

InChIKey

JWFOTJIXWCVMRP-MDMSKSMXSA-K

Smiles

[Na+].[Na+].[Na+].s1c(nc2c1c(c(cc2)C)S(=O)(=O)[O-])c1cc(c(cc1)\N=N\c1c(c2ccc(cc2cc1S(=O)(=O)[O-])NC(=O)Nc1ccc(cc1)NC(=O)C)O)S(=O)(=O)[O-]