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Substance Name: 2-((5-Amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-4-((5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)benzenesulphonic acid, sodium salt
RN: 83399-92-2
InChIKey: NRLNNDNGHIBWEA-NTDCDQSISA-L

Molecular Formula

  • C22-H21-Cl-N8-O8-S3.x-Na

Molecular Weight

  • 701.0711
 
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Names and Synonyms

Synonym

  • EINECS 280-405-9

Systematic Name

  • 2-((5-Amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl)azo)-4-((5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)benzenesulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 83399-92-2

System Generated Number

  • 0083399922

Molecular Formulas

Molecular Formula

  • C22-H21-Cl-N8-O8-S3.x-Na

Molecular Formula Fragments

  • C22-H21-Cl-N8-O8-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H21ClN8O8S3.2Na/c1-11-18(23)21(27-22(25-11)40(3,32)33)26-13-7-8-17(42(37,38)39)16(9-13)28-29-19-12(2)30-31(20(19)24)14-5-4-6-15(10-14)41(34,35)36;;/h4-10H,24H2,1-3H3,(H,25,26,27)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b29-28+;;

InChIKey

NRLNNDNGHIBWEA-NTDCDQSISA-L

Smiles

Cc1c(c(n(n1)c2cccc(c2)S(=O)(=O)[O-])N)/N=N/c3cc(ccc3S(=O)(=O)[O-])Nc4c(c(nc(n4)S(=O)(=O)C)C)Cl.[Na+].[Na+]