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Substance Name: Cibacron brilliant red 3B-A
RN: 17681-50-4
InChIKey: NUZJNUDPZLPKAR-CARHPIHDSA-J

Molecular Formula

  • C32-H23-Cl-N8-O14-S4.4Na

Molecular Weight

  • 995.221
 
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Names and Synonyms

Results Name

  • Cibacron Brilliant Red 3B-A

Synonyms

  • EINECS 241-663-8
  • Procion Red H7B

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-4-hydroxy-, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4-hydroxy-, sodium salt (1:4)
  • Cibacron Brilliant Red 3B-A
  • Tetrasodium 5-(benzoylamino)-3-((5-((4-chloro-6-((4-sulphonatophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulphonatophenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 17681-50-4

Other Registry Number

  • 251319-99-0

Related Registry Number

  • 16480-43-6 (Parent)

System Generated Number

  • 0017681504

Molecular Formulas

Molecular Formula

  • C32-H23-Cl-N8-O14-S4.4Na

Molecular Formula Fragments

  • C32-H23-Cl-N8-O14-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H23ClN8O14S4.4Na/c33-30-37-31(34-18-6-9-20(10-7-18)56(44,45)46)39-32(38-30)35-19-8-11-24(58(50,51)52)22(14-19)40-41-27-25(59(53,54)55)13-17-12-21(57(47,48)49)15-23(26(17)28(27)42)36-29(43)16-4-2-1-3-5-16;;;;/h1-15,42H,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H2,34,35,37,38,39);;;;/q;4*+1/p-4/b41-40+;;;;

InChIKey

NUZJNUDPZLPKAR-CARHPIHDSA-J

Smiles

c12c(cc(S(=O)(=O)[O-])c(c2O)\N=N\c2c(ccc(c2)Nc2nc(Nc3ccc(S(=O)(=O)[O-])cc3)nc(n2)Cl)S([O-])(=O)=O)cc(S(=O)(=O)[O-])cc1NC(c1ccccc1)=O.[Na+].[Na+].[Na+].[Na+]