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Substance Name: 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)
RN: 72639-36-2
InChIKey: SHIQHPNSCAWLFG-TYMWBDRGSA-K

Molecular Formula

  • C22-H18-Cl-N5-O12-S4.x-K.x-Na

Molecular Weight

  • 806.286
 
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Names and Synonyms

Synonyms

  • 4-((5-Chloro-4-methyl-2-(methylsulfonyl)-6-pyrimidyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, sodium, potassium salt
  • EINECS 276-754-1

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)
  • 5-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 72639-36-2

System Generated Number

  • 0072639362

Molecular Formulas

Molecular Formula

  • C22-H18-Cl-N5-O12-S4.x-K.x-Na

Molecular Formula Fragments

  • C22-H18-Cl-N5-O12-S4
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C22H18ClN5O12S4.2K.Na/c1-10-18(23)21(26-22(24-10)41(2,30)31)25-14-9-12(42(32,33)34)7-11-8-16(44(38,39)40)19(20(29)17(11)14)28-27-13-5-3-4-6-15(13)43(35,36)37;;;/h3-9,29H,1-2H3,(H,24,25,26)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b28-27+;;;

InChIKey

SHIQHPNSCAWLFG-TYMWBDRGSA-K

Smiles

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