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Substance Name: 4-((5-Chloro-2-mesyl-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((o-sulphophenyl)azo)naphthalene-1,7-disulphonic acid, sodium salt
RN: 83400-14-0
InChIKey: HOZHFCQRPQJCNU-TYMWBDRGSA-K

Molecular Formula

  • C22-H18-Cl-N5-O12-S4.x-Na

Molecular Weight

  • 774.0705
 
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Names and Synonyms

Synonym

  • EINECS 280-430-5

Systematic Name

  • 4-((5-Chloro-2-mesyl-6-methyl-4-pyrimidinyl)amino)-5-hydroxy-6-((o-sulphophenyl)azo)naphthalene-1,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83400-14-0

System Generated Number

  • 0083400140

Molecular Formulas

Molecular Formula

  • C22-H18-Cl-N5-O12-S4.x-Na

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+]