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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 (1:4)
RN: 86220-53-3
InChIKey: XEUFDJIPXBEXFW-LLAJLYISSA-J

Molecular Formula

  • C33-H26-N6-O12-S4.4Na

Molecular Weight

  • 914.7908
 
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Names and Synonyms

  • 7-Benzothiazolesulfonic acid, 2-(4-((6-((((4-(acetylamino)phenyl)amino)carbonyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-sulfophenyl)-6-methyl-, tetrasodium 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 (1:4)

Registry Numbers

CAS Registry Number

  • 86220-53-3

System Generated Number

  • 0086220533

Molecular Formulas

Molecular Formula

  • C33-H26-N6-O12-S4.4Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C33H26N6O12S4.4Na/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;4*+1/p-4/b39-38+;;;;

InChIKey

XEUFDJIPXBEXFW-LLAJLYISSA-J

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2c(S(=O)(=O)[O-])cc(c3sc4c(S(=O)(=O)[O-])c(ccc4n3)C)cc2)c(c2c(c1)cc(NC(=O)Nc1ccc(NC(=O)C)cc1)cc2)[O-].[Na+].[Na+].[Na+].[Na+]