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Substance Name: Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(benzenesulphonate)
RN: 94236-89-2
InChIKey: PXCHTXFLYYCDMY-UHFFFAOYSA-K

Molecular Formula

  • C21-H18-N6-O9-S3.3K

Molecular Weight

  • 708.8745
 
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Names and Synonyms

Synonym

  • EINECS 304-086-3

Systematic Name

  • Tripotassium 3,3',3''-(1,3,5-triazine-2,4,6-triyltriimino)tris(benzenesulphonate)

Registry Numbers

CAS Registry Number

  • 94236-89-2

System Generated Number

  • 0094236892

Molecular Formulas

Molecular Formula

  • C21-H18-N6-O9-S3.3K

Molecular Formula Fragments

  • C21-H18-N6-O9-S3
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C21H18N6O9S3.3K/c28-37(29,30)16-7-1-4-13(10-16)22-19-25-20(23-14-5-2-8-17(11-14)38(31,32)33)27-21(26-19)24-15-6-3-9-18(12-15)39(34,35)36;;;/h1-12H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H3,22,23,24,25,26,27);;;/q;3*+1/p-3

InChIKey

PXCHTXFLYYCDMY-UHFFFAOYSA-K

Smiles

S(=O)(=O)(c1cc(Nc2nc(nc(n2)Nc2cc(S(=O)(=O)[O-])ccc2)Nc2cc(S(=O)(=O)[O-])ccc2)ccc1)[O-].[K+].[K+].[K+]