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Substance Name: 5-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid, sodium salt
RN: 83400-15-1
InChIKey: BNXDCNPDQPCJCL-JZYARHMISA-L

Molecular Formula

  • C22-H18-Cl-N5-O9-S3.x-Na

Molecular Weight

  • 672.0254
 
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Names and Synonyms

Synonym

  • EINECS 280-431-0

Systematic Name

  • 5-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(phenylazo)naphthalene-2,7-disulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83400-15-1

System Generated Number

  • 0083400151

Molecular Formulas

Molecular Formula

  • C22-H18-Cl-N5-O9-S3.x-Na

Molecular Formula Fragments

  • C22-H18-Cl-N5-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H18ClN5O9S3.2Na/c1-11-18(23)21(26-22(24-11)38(2,30)31)25-15-10-14(39(32,33)34)8-12-9-16(40(35,36)37)19(20(29)17(12)15)28-27-13-6-4-3-5-7-13;;/h3-10,29H,1-2H3,(H,24,25,26)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b28-27+;;

InChIKey

BNXDCNPDQPCJCL-JZYARHMISA-L

Smiles

Cc1c(c(nc(n1)S(=O)(=O)C)Nc2cc(cc3c2c(c(c(c3)S(=O)(=O)[O-])/N=N/c4ccccc4)O)S(=O)(=O)[O-])Cl.[Na+].[Na+]