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Substance Name: Benzenesulfonic acid, 2-(2-(1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-4-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:1)
RN: 70209-98-2
InChIKey: MHFDPIUOLJLGRL-LOSWNTLOSA-M

Molecular Formula

  • C26-H21-Cl2-N9-O4-S.Na

Molecular Weight

  • 648.465
 
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Names and Synonyms

Synonyms

  • Benzenesulfonic acid, 2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, monosodium salt
  • EINECS 274-396-0

Systematic Names

  • Benzenesulfonic acid, 2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-4-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, monosodium salt
  • Benzenesulfonic acid, 2-(2-(1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-4-((4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:1)
  • Sodium 4-((6-anilino-4-chloro-1,3,5-triazin-2-yl)amino)-2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)amino)benzenesulphonate

Registry Numbers

CAS Registry Number

  • 70209-98-2

Other Registry Number

  • 65147-25-3

System Generated Number

  • 0070209982

Molecular Formulas

Molecular Formula

  • C26-H21-Cl2-N9-O4-S.Na

Molecular Formula Fragments

  • C26-H21-Cl2-N9-O4-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H21Cl2N9O4S.Na/c1-14-7-6-10-18(27)22(14)37-23(38)21(15(2)36-37)35-34-19-13-17(11-12-20(19)42(39,40)41)30-26-32-24(28)31-25(33-26)29-16-8-4-3-5-9-16;/h3-13,21H,1-2H3,(H,39,40,41)(H2,29,30,31,32,33);/q;+1/p-1/b35-34+;

InChIKey

MHFDPIUOLJLGRL-LOSWNTLOSA-M

Smiles

N1(C([C@@H](\N=N\c2c(S(=O)(=O)[O-])ccc(Nc3nc(Nc4ccccc4)nc(n3)Cl)c2)C(=N1)C)=O)c1c(Cl)cccc1C.[Na+]