Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: C.I. Acid Red 111
RN: 6358-57-2
UNII: 86K4T0CSTS
InChIKey: YFSRRLXAGNGNNQ-WEUAPPMUSA-L

Molecular Formula

  • C37-H30-N4-O10-S3.2Na

Molecular Weight

  • 830.8242
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • C.I. Acid Red 111

Synonyms

  • C.I. Acid Red 111
  • CCRIS 2424
  • EINECS 228-779-4
  • UNII-86K4T0CSTS

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 3-((2,2'-dimethyl-4'-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxy-, disodium salt
  • 2,7-Naphthalenedisulfonic acid, 3-(2-(2,2'-dimethyl-4'-(2-(4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)(1,1'-biphenyl)-4-yl)diazenyl)-4-hydroxy-, sodium salt (1:2)
  • C.I. Acid Red 111, disodium salt
  • Disodium 3-((2,2'-dimethyl-4'-((4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-4-yl)azo)-4-hydroxynaphthalene-2,7-disulphonate

Registry Numbers

CAS Registry Number

  • 6358-57-2

FDA UNII

  • 86K4T0CSTS

Other Registry Number

  • 51278-14-9

System Generated Number

  • 0006358572

Molecular Formulas

Molecular Formula

  • C37-H30-N4-O10-S3.2Na

Molecular Formula Fragments

  • C37-H30-N4-O10-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C37H30N4O10S3.2Na/c1-22-4-12-30(13-5-22)54(49,50)51-29-10-6-26(7-11-29)38-39-27-8-15-32(23(2)18-27)33-16-9-28(19-24(33)3)40-41-36-35(53(46,47)48)21-25-20-31(52(43,44)45)14-17-34(25)37(36)42;;/h4-21,42H,1-3H3,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/b39-38+,41-40+;;

InChIKey

YFSRRLXAGNGNNQ-WEUAPPMUSA-L

Smiles

[Na+].[Na+].Cc1ccc(cc1)S(=O)(=O)Oc2ccc(cc2)N=Nc3ccc(c(C)c3)c4ccc(cc4C)N=Nc5c(O)c6ccc(cc6cc5S(=O)(=O)[O-])S(=O)(=O)[O-]