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Substance Name: Trisodium 3-((4-((4-((4-amino-6-chloro-1,3,5-triazin-2-yl)amino)-7-sulphonato-1-naphthyl)azo)-2,5-dimethylphenyl)azo)naphthalene-1,5-disulphonate
RN: 84434-57-1
InChIKey: VQUVUAWDYNXRIM-WXMKCTNMSA-K

Molecular Formula

  • C31-H24-Cl-N9-O9-S3.3Na

Molecular Weight

  • 864.1819
 
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Names and Synonyms

Synonym

  • EINECS 282-857-2

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 84434-57-1

System Generated Number

  • 0084434571

Molecular Formulas

Molecular Formula

  • C31-H24-Cl-N9-O9-S3.3Na

Molecular Formula Fragments

  • C31-H24-Cl-N9-O9-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C31H24ClN9O9S3.3Na/c1-15-11-26(16(2)10-25(15)40-38-17-12-22-20(28(13-17)53(48,49)50)4-3-5-27(22)52(45,46)47)41-39-24-9-8-23(34-31-36-29(32)35-30(33)37-31)19-7-6-18(14-21(19)24)51(42,43)44;;;/h3-14H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50)(H3,33,34,35,36,37);;;/q;3*+1/p-3/b40-38+,41-39+;;;

InChIKey

VQUVUAWDYNXRIM-WXMKCTNMSA-K

Smiles

Cc1cc(c(cc1/N=N/c2cc3c(cccc3S(=O)(=O)[O-])c(c2)S(=O)(=O)[O-])C)/N=N/c4ccc(c5c4cc(cc5)S(=O)(=O)[O-])Nc6nc(nc(n6)Cl)N.[Na+].[Na+].[Na+]