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Substance Name: C.I. Reactive Red 56
RN: 72139-15-2
UNII: 80R2QB53DN
InChIKey: BUSBMHDVDUKLCY-QLZAIFKTSA-K

Molecular Formula

  • C30-H22-Cl3-N11-O10-S3.3Na

Molecular Weight

  • 965.0741
 
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Names and Synonyms

Results Name

  • C.I. Reactive Red 56

Name of Substance

  • Reactive Red 56

Synonyms

  • C.I. Reactive Red 56
  • EINECS 276-372-5
  • UNII-80R2QB53DN

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-(methylamino)-6-((3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-1,3,5-triazin-2-yl)amino)-3-((2-sulfophenyl)azo)-, trisodium salt
  • 2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-((4-(methylamino)-6-((3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-1,3,5-triazin-2-yl)amino)-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:3)
  • Trisodium 4-hydroxy-5-((4-(methylamino)-6-((3-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)amino)-1,3,5-triazin-2-yl)amino)-3-((2-sulphonatophenyl)azo)naphthalene-2,7-disulphonate

Superlist Name

  • C.I. Reactive Red 56

Registry Numbers

CAS Registry Number

  • 72139-15-2

FDA UNII

  • 80R2QB53DN

System Generated Number

  • 0072139152

Molecular Formulas

Molecular Formula

  • C30-H22-Cl3-N11-O10-S3.3Na

Molecular Formula Fragments

  • C30-H22-Cl3-N11-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C30H22Cl3N11O10S3.3Na/c1-34-28-40-29(36-15-6-4-5-14(11-15)35-26-22(31)25(32)38-27(33)39-26)42-30(41-28)37-18-12-16(55(46,47)48)9-13-10-20(57(52,53)54)23(24(45)21(13)18)44-43-17-7-2-3-8-19(17)56(49,50)51;;;/h2-12,43H,1H3,(H,35,38,39)(H,46,47,48)(H,49,50,51)(H,52,53,54)(H3,34,36,37,40,41,42);;;/q;3*+1/p-3/b44-23-;;;

InChIKey

BUSBMHDVDUKLCY-QLZAIFKTSA-K

Smiles

[Na+].[Na+].[Na+].CNc1nc(Nc2cccc(Nc3nc(Cl)nc(Cl)c3Cl)c2)nc(Nc4cc(cc5C=C(\C(=N\Nc6ccccc6S(=O)(=O)[O-])\C(=O)c45)S(=O)(=O)[O-])S(=O)(=O)[O-])n1