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Substance Name: Trisodium 5-((2-(4,5-dihydro-3-methyl-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazol-1-yl)-4-sulphonatophenyl)sulphonyl)salicylate
RN: 6359-51-9
InChIKey: CCTIIXINPKYGPN-ASYOLLPPSA-K

Molecular Formula

  • C23-H18-N4-O12-S3.3Na

Molecular Weight

  • 704.5555
 
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Names and Synonyms

Synonym

  • EINECS 228-801-2

Systematic Name

  • Trisodium 5-((2-(4,5-dihydro-3-methyl-5-oxo-4-((2-sulphonatophenyl)azo)-1H-pyrazol-1-yl)-4-sulphonatophenyl)sulphonyl)salicylate

Registry Numbers

CAS Registry Number

  • 6359-51-9

System Generated Number

  • 0006359519

Molecular Formulas

Molecular Formula

  • C23-H18-N4-O12-S3.3Na

Molecular Formula Fragments

  • C23-H18-N4-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H18N4O12S3.3Na/c1-12-21(25-24-16-4-2-3-5-19(16)42(37,38)39)22(29)27(26-12)17-11-14(41(34,35)36)7-9-20(17)40(32,33)13-6-8-18(28)15(10-13)23(30)31;;;/h2-11,21,28H,1H3,(H,30,31)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3/b25-24+;;;

InChIKey

CCTIIXINPKYGPN-ASYOLLPPSA-K

Smiles

CC1=NN(C(=O)C1/N=N/c2ccccc2S(=O)(=O)[O-])c3cc(ccc3S(=O)(=O)c4ccc(c(c4)C(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+]