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Substance Name: 1,4-Benzenedisulfonic acid, 2-((4-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-, potassium sodium salt
RN: 118578-13-5
InChIKey: HDMFHIXWWSRBFH-YYZYFHJNSA-J

Molecular Formula

  • C30-H26-Cl-N11-O13-S4.x-K.x-Na

Molecular Weight

  • 1032.4608
 
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Names and Synonyms

  • 1,4-Benzenedisulfonic acid, 2-((4-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((2,5-disulfophenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-2,5-dimethylphenyl)azo)-, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 118578-13-5

System Generated Number

  • 0118578135

Molecular Formulas

Molecular Formula

  • C30-H26-Cl-N11-O13-S4.x-K.x-Na

Molecular Formula Fragments

  • C30-H26-Cl-N11-O13-S4
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C30H26ClN11O13S4.2K.2Na/c1-14-10-21(41-42-24-13-18(57(47,48)49)5-8-26(24)59(53,54)55)15(2)9-20(14)40-39-19-6-3-16(11-22(19)34-28(32)43)33-29-36-27(31)37-30(38-29)35-23-12-17(56(44,45)46)4-7-25(23)58(50,51)52;;;;/h3-13H,1-2H3,(H3,32,34,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,33,35,36,37,38);;;;/q;4*+1/p-4/b40-39+,42-41+;;;;

InChIKey

HDMFHIXWWSRBFH-YYZYFHJNSA-J

Smiles

S(=O)(=O)(c1c(Nc2nc(nc(n2)Cl)Nc2cc(NC(=O)N)c(/N=N/c3cc(c(/N=N/c4c(S(=O)(=O)[O-])ccc(S(=O)(=O)[O-])c4)cc3C)C)cc2)cc(S(=O)(=O)[O-])cc1)[O-].[Na+].[K+].[Na+].[K+]