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Substance Name: 4-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid, sodium salt
RN: 84962-49-2
InChIKey: CMHGGMYOTLMJTR-FEISSGSOSA-K

Molecular Formula

  • C25-H18-Cl3-N9-O10-S3.x-Na

Molecular Weight

  • 872.9735
 
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Names and Synonyms

Synonym

  • EINECS 284-746-4

Systematic Name

  • 4-((4-Chloro-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-((1-(2,5-dichloro-4-sulphophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)benzenesulphonic acid, sodium salt

Registry Numbers

CAS Registry Number

  • 84962-49-2

System Generated Number

  • 0084962492

Molecular Formulas

Molecular Formula

  • C25-H18-Cl3-N9-O10-S3.x-Na

Molecular Formula Fragments

  • C25-H18-Cl3-N9-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(5-6-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-3-2-4-14(7-12)48(39,40)41;;;/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3/b35-34+;;;

InChIKey

CMHGGMYOTLMJTR-FEISSGSOSA-K

Smiles

N1(C(=O)C(C(=N1)C)/N=N/c1c(S(=O)(=O)[O-])ccc(c1)Nc1nc(nc(n1)Cl)Nc1cc(S(=O)(=O)[O-])ccc1)c1cc(c(S(=O)(=O)[O-])cc1Cl)Cl.[Na+].[Na+].[Na+]