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Substance Name: EINECS 280-404-3
RN: 83399-91-1
InChIKey: UMMRCQSAEVQUGN-NFOZGECASA-N

Molecular Formula

  • C24-H22-Cl-N7-O11-S3.x-K.x-Na

Molecular Weight

  • 778.2148
 
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Names and Synonyms

Results Name

  • EINECS 280-404-3

Synonym

  • EINECS 280-404-3

Systematic Name

  • 4-((3-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-2-methyl-5-sulphophenyl)azo)-4,5-dihydro-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid, potassium sodium salt

Registry Numbers

CAS Registry Number

  • 83399-91-1

System Generated Number

  • 0083399911

Molecular Formulas

Molecular Formula

  • C24-H22-Cl-N7-O11-S3.x-K.x-Na

Molecular Formula Fragments

  • C24-H22-Cl-N7-O11-S3
  • COMPONENT
  • K
  • Na

Structure Descriptors

InChI

1S/C24H22ClN7O11S3.K.Na/c1-10-7-13(45(38,39)40)5-6-17(10)32-22(33)19(20(31-32)23(34)35)30-29-16-9-14(46(41,42)43)8-15(11(16)2)27-21-18(25)12(3)26-24(28-21)44(4,36)37;;/h5-9,19H,1-4H3,(H,34,35)(H,26,27,28)(H,38,39,40)(H,41,42,43);;/q;2*+1/b30-29+;;

InChIKey

UMMRCQSAEVQUGN-NFOZGECASA-N

Smiles

Cc1cc(ccc1N2C(=O)C(C(=N2)C(=O)O)/N=N/c3cc(cc(c3C)Nc4c(c(nc(n4)S(=O)(=O)C)C)Cl)S(=O)(=O)O)S(=O)(=O)O.[Na+].[K+]