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Substance Name: 4-((5-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid, sodium salt
RN: 85959-12-2
InChIKey: HEQDXZLWTKGBOW-TYMWBDRGSA-K

Molecular Formula

  • C20-H14-Cl2-N8-O9-S2.x-Na

Molecular Weight

  • 711.3619
 
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Names and Synonyms

Synonym

  • EINECS 289-002-2

Systematic Name

  • 4-((5-((4,6-Dichloro-1,3,5-triazin-2-yl)amino)-2-sulphophenyl)azo)-4,5-dihydro-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 85959-12-2

System Generated Number

  • 0085959122

Molecular Formulas

Molecular Formula

  • C20-H14-Cl2-N8-O9-S2.x-Na

Molecular Formula Fragments

  • C20-H14-Cl2-N8-O9-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H14Cl2N8O9S2.3Na/c1-8-6-10(40(34,35)36)3-4-12(8)30-16(31)14(15(29-30)17(32)33)28-27-11-7-9(2-5-13(11)41(37,38)39)23-20-25-18(21)24-19(22)26-20;;;/h2-7,14H,1H3,(H,32,33)(H,34,35,36)(H,37,38,39)(H,23,24,25,26);;;/q;3*+1/p-3/b28-27+;;;

InChIKey

HEQDXZLWTKGBOW-TYMWBDRGSA-K

Smiles

Cc1cc(ccc1N2C(=O)C(C(=N2)C(=O)[O-])/N=N/c3cc(ccc3S(=O)(=O)[O-])Nc4nc(nc(n4)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]