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Substance Name: Tetrasodium 2-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-7-sulphonato-1-naphthyl)azo)benzene-1,4-disulphonate
RN: 85586-79-4
InChIKey: ADKNJTIHAWDJKQ-ADBUYCPRSA-J

Molecular Formula

  • C29-H20-Cl-N9-O12-S4.4Na

Molecular Weight

  • 938.1734
 
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Names and Synonyms

Synonym

  • EINECS 287-885-9

Systematic Name

  • Tetrasodium 2-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-7-sulphonato-1-naphthyl)azo)benzene-1,4-disulphonate

Registry Numbers

CAS Registry Number

  • 85586-79-4

System Generated Number

  • 0085586794

Molecular Formulas

Molecular Formula

  • C29-H20-Cl-N9-O12-S4.4Na

Molecular Formula Fragments

  • C29-H20-Cl-N9-O12-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H20ClN9O12S4.4Na/c30-27-33-28(31)35-29(34-27)32-21-6-7-23(19-11-14(52(40,41)42)1-4-17(19)21)37-36-22-8-9-24(20-12-15(53(43,44)45)2-5-18(20)22)38-39-25-13-16(54(46,47)48)3-10-26(25)55(49,50)51;;;;/h1-13H,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H3,31,32,33,34,35);;;;/q;4*+1/p-4/b37-36+,39-38+;;;;

InChIKey

ADKNJTIHAWDJKQ-ADBUYCPRSA-J

Smiles

c1cc2c(ccc(c2cc1S(=O)(=O)[O-])/N=N/c3ccc(c4c3ccc(c4)S(=O)(=O)[O-])/N=N/c5cc(ccc5S(=O)(=O)[O-])S(=O)(=O)[O-])Nc6nc(nc(n6)Cl)N.[Na+].[Na+].[Na+].[Na+]