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Substance Name: 1,7-Naphthalenedisulfonic acid, 4-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)
RN: 72659-67-7
InChIKey: HOZHFCQRPQJCNU-TYMWBDRGSA-K

Molecular Formula

  • C22-H18-Cl-N5-O12-S4.3Na

Molecular Weight

  • 774.0705
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 72659-67-7

System Generated Number

  • 0072659677

Molecular Formulas

Molecular Formula

  • C22-H18-Cl-N5-O12-S4.3Na

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C22H18ClN5O12S4.3Na/c1-10-18(23)21(26-22(24-10)41(2,30)31)25-13-7-8-14(42(32,33)34)11-9-16(44(38,39)40)19(20(29)17(11)13)28-27-12-5-3-4-6-15(12)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

HOZHFCQRPQJCNU-TYMWBDRGSA-K

Smiles

Cc1c(c(nc(n1)S(=O)(=O)C)Nc2ccc(c3c2c(c(c(c3)S(=O)(=O)[O-])/N=N/c4ccccc4S(=O)(=O)[O-])O)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]