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Substance Name: Pyridinium, 3-carboxy-1-(4-((4-chloro-3-sulfophenyl)amino)-6-((5-hydroxy-6-(2-(4-methoxy-2-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-, inner salt, potassium sodium salt (1:?:?)
RN: 109125-54-4
InChIKey: JJJJKUQSPWEKEZ-UHFFFAOYSA-L

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C32-H23-Cl-N8-O13-S3.x-K.x-Na

Molecular Weight

  • 919.2999
 
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Names and Synonyms

  • Pyridinium, 3-carboxy-1-(4-((4-chloro-3-sulfophenyl)amino)-6-((5-hydroxy-6-((4-methoxy-2-sulfophenyl)azo)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-, inner salt, potassium sodium salt
  • Pyridinium, 3-carboxy-1-(4-((4-chloro-3-sulfophenyl)amino)-6-((5-hydroxy-6-(2-(4-methoxy-2-sulfophenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-1,3,5-triazin-2-yl)-, inner salt, potassium sodium salt (1:?:?)

Registry Numbers

CAS Registry Number

  • 109125-54-4

System Generated Number

  • 0109125544

Molecular Formulas

Molecular Formula

  • C32-H23-Cl-N8-O13-S3.x-K.x-Na

Molecular Formula Fragments

  • C32-H23-Cl-N8-O13-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C32H23ClN8O13S3.K.Na/c1-54-20-6-9-23(25(14-20)56(48,49)50)39-40-27-26(57(51,52)53)12-17-11-18(4-7-21(17)28(27)42)34-30-36-31(35-19-5-8-22(33)24(13-19)55(45,46)47)38-32(37-30)41-10-2-3-16(15-41)29(43)44;;/h2-15H,1H3,(H6-,34,35,36,37,38,39,42,43,44,45,46,47,48,49,50,51,52,53);;/q;2*+1/p-2

InChIKey

JJJJKUQSPWEKEZ-UHFFFAOYSA-L

Smiles

c1(S(=O)(=O)[O-])c(/N=N/c2c(S(=O)(=O)[O-])cc(cc2)OC)c(c2c(c1)cc(Nc1nc(nc(n1)Nc1cc(S(=O)(=O)[O-])c(cc1)Cl)[n+]1cc(C(=O)O)ccc1)cc2)O.[K+].[Na+]