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Substance Name: Trisodium 3-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-1,5-disulphonate
RN: 85959-03-1
InChIKey: XZOLNPXOULYRKE-DTBIJOOYSA-K

Molecular Formula

  • C19-H12-Cl2-N6-O10-S3.3Na

Molecular Weight

  • 717.3861
 
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Names and Synonyms

Synonym

  • EINECS 288-992-3

Systematic Name

  • Trisodium 3-((5-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-1,5-disulphonate

Registry Numbers

CAS Registry Number

  • 85959-03-1

System Generated Number

  • 0085959031

Molecular Formulas

Molecular Formula

  • C19-H12-Cl2-N6-O10-S3.3Na

Molecular Formula Fragments

  • C19-H12-Cl2-N6-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C19H12Cl2N6O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-8-4-5-12(38(29,30)31)10(6-8)26-27-11-7-14(40(35,36)37)9-2-1-3-13(39(32,33)34)15(9)16(11)28;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;;/q;3*+1/p-3/b27-26+;;;

InChIKey

XZOLNPXOULYRKE-DTBIJOOYSA-K

Smiles

c1cc2c(cc(c(c2c(c1)S(=O)(=O)[O-])O)/N=N/c3cc(ccc3S(=O)(=O)[O-])Nc4nc(nc(n4)Cl)Cl)S(=O)(=O)[O-].[Na+].[Na+].[Na+]