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Substance Name: C.I. 28255
RN: 6104-56-9
InChIKey: DZSJSWXRTVFCNO-ZZDGZZNVSA-K

Molecular Formula

  • C41-H31-N7-O12-S3.3Na

Molecular Weight

  • 975.877
 
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Names and Synonyms

Results Name

  • C.I. 28255

Synonyms

  • C.I. 28255
  • C.I. Direct Orange 74, trisodium salt
  • Diazanil Orange RR
  • Diazo Orange 2R
  • EINECS 228-057-9
  • NSC 47770
  • Para Orange RR Conc. CF
  • Phenazo Orange RR
  • Pontamine Diazo Orange 2R

Systematic Names

  • 1,3-Naphthalenedisulfonic acid, 7-((4-((4-((6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoyl)amino)-2-methylphenyl)azo)-, trisodium salt
  • 1,3-Naphthalenedisulfonic acid, 7-(2-(4-((4-(2-(6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)benzoyl)amino)-2-methylphenyl)diazenyl)-, sodium salt (1:3)
  • C.I. Direct Orange 74 (8CI)
  • Trisodium 7-((4-((4-((6-((4-aminobenzoyl)amino)-1-hydroxy-3-sulphonato-2-naphthyl)azo)benzoyl)amino)-o-tolyl)azo)naphthalene-1,3-disulphonate

Registry Numbers

CAS Registry Number

  • 6104-56-9

System Generated Number

  • 0006104569

Molecular Formulas

Molecular Formula

  • C41-H31-N7-O12-S3.3Na

Molecular Formula Fragments

  • C41-H31-N7-O12-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C41H31N7O12S3.3Na/c1-22-16-29(13-15-35(22)47-46-31-11-6-25-18-32(61(52,53)54)21-36(34(25)20-31)62(55,56)57)43-41(51)24-4-9-28(10-5-24)45-48-38-37(63(58,59)60)19-26-17-30(12-14-33(26)39(38)49)44-40(50)23-2-7-27(42)8-3-23;;;/h2-21,49H,42H2,1H3,(H,43,51)(H,44,50)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;/q;3*+1/p-3/b47-46+,48-45+;;;

InChIKey

DZSJSWXRTVFCNO-ZZDGZZNVSA-K

Smiles

c1(S([O-])(=O)=O)c(\N=N\c2ccc(C(Nc3cc(C)c(\N=N\c4cc5c(S([O-])(=O)=O)cc(S([O-])(=O)=O)cc5cc4)cc3)=O)cc2)c(O)c2c(c1)cc(NC(c1ccc(cc1)N)=O)cc2.[Na+].[Na+].[Na+]