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Substance Name: 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)
RN: 75198-87-7
InChIKey: SFQVBXRWGVIEKL-TYMWBDRGSA-K

Molecular Formula

  • C21-H15-Cl-F-N5-O10-S3.3Na

Molecular Weight

  • 713.97
 
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Names and Synonyms

Synonym

  • 4-((5-Chloro-2-fluoro-4-methylpyrimidin-6-yl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-1,7-naphthalenedisulfonic acid, trisodium salt

Systematic Names

  • 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-, trisodium salt
  • 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)

Registry Numbers

CAS Registry Number

  • 75198-87-7

System Generated Number

  • 0075198877

Molecular Formulas

Molecular Formula

  • C21-H15-Cl-F-N5-O10-S3.3Na

Molecular Formula Fragments

  • C21-H15-Cl-F-N5-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H15ClFN5O10S3.3Na/c1-9-17(22)20(26-21(23)24-9)25-12-6-7-13(39(30,31)32)10-8-15(41(36,37)38)18(19(29)16(10)12)28-27-11-4-2-3-5-14(11)40(33,34)35;;;/h2-8,29H,1H3,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b28-27+;;;

InChIKey

SFQVBXRWGVIEKL-TYMWBDRGSA-K

Smiles

[Na+].[Na+].[Na+].c1(ccc(c2c(c(c(cc12)S(=O)(=O)[O-])\N=N\c1c(cccc1)S(=O)(=O)[O-])O)Nc1nc(nc(c1Cl)C)F)S(=O)(=O)[O-]