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Substance Name: Trisodium trihydrogen 5,5',5''-(1,3,5-triazine-2,4,6-triyltriimino)tris(5-sulphonatosalicylate)
RN: 79135-90-3
InChIKey: MAUKCLLIUYBEFY-UHFFFAOYSA-K

Molecular Formula

  • C24-H18-N6-O18-S3.3Na

Molecular Weight

  • 840.5745
 
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Names and Synonyms

Synonym

  • EINECS 279-091-6

Systematic Names

  • Benzoic acid, 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(2-hydroxy-5-sulfo-, trisodium salt
  • Trisodium trihydrogen 5,5',5''-(1,3,5-triazine-2,4,6-triyltriimino)tris(5-sulphonatosalicylate)

Registry Numbers

CAS Registry Number

  • 79135-90-3

System Generated Number

  • 0079135903

Molecular Formulas

Molecular Formula

  • C24-H18-N6-O18-S3.3Na

Molecular Formula Fragments

  • C24-H18-N6-O18-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C24H18N6O18S3.3Na/c31-13-6-14(49(40,41)42)12(5-9(13)19(34)35)27-24-29-22(25-7-1-10(20(36)37)17(32)15(3-7)50(43,44)45)28-23(30-24)26-8-2-11(21(38)39)18(33)16(4-8)51(46,47)48;;;/h1-6,31-33H,(H,34,35)(H,36,37)(H,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H3,25,26,27,28,29,30);;;/q;3*+1/p-3

InChIKey

MAUKCLLIUYBEFY-UHFFFAOYSA-K

Smiles

c1c(cc(c(c1C(=O)O)O)S(=O)(=O)[O-])Nc2nc(nc(n2)Nc3cc(c(cc3S(=O)(=O)[O-])O)C(=O)O)Nc4cc(c(c(c4)S(=O)(=O)[O-])O)C(=O)O.[Na+].[Na+].[Na+]