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Substance Name: 7-((4-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid, sodium salt
RN: 83400-23-1
InChIKey: GDPKSYNXWWHACV-TYMWBDRGSA-K

Molecular Formula

  • C22-H18-Cl-N5-O11-S4.x-Na

Molecular Weight

  • 758.0715
 
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Names and Synonyms

Synonym

  • EINECS 280-439-4

Systematic Name

  • 7-((4-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)phenyl)azo)naphthalene-1,3,5-trisulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83400-23-1

System Generated Number

  • 0083400231

Molecular Formulas

Molecular Formula

  • C22-H18-Cl-N5-O11-S4.x-Na

Molecular Formula Fragments

  • C22-H18-Cl-N5-O11-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H18ClN5O11S4.3Na/c1-11-20(23)21(26-22(24-11)40(2,29)30)25-12-3-5-13(6-4-12)27-28-14-7-16-17(18(8-14)42(34,35)36)9-15(41(31,32)33)10-19(16)43(37,38)39;;;/h3-10H,1-2H3,(H,24,25,26)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b28-27+;;;

InChIKey

GDPKSYNXWWHACV-TYMWBDRGSA-K

Smiles

Cc1c(c(nc(n1)S(=O)(=O)C)Nc2ccc(cc2)/N=N/c3cc4c(cc(cc4S(=O)(=O)[O-])S(=O)(=O)[O-])c(c3)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+]