Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Trilithium 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate
RN: 83221-68-5
InChIKey: NCPIAAYXKACKIS-HBQOWMFMSA-K

Molecular Formula

  • C44-H35-N13-O11-S3.3Li

Molecular Weight

  • 1304.1206
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 280-247-0

Systematic Names

  • 2-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trilithium salt
  • Trilithium 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulphonato-2-naphthyl)azo)phenyl)amino)-3-sulphonatophenyl)azo)-4-hydroxynaphthalene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 83221-68-5

System Generated Number

  • 0083221685

Molecular Formulas

Molecular Formula

  • C44-H35-N13-O11-S3.3Li

Molecular Formula Fragments

  • C44-H35-N13-O11-S3
  • COMPONENT
  • Li

Structure Descriptors

InChI

1S/C56H47N21O11S3.3Li/c57-27-2-13-41(37(61)20-27)69-67-33-6-1-26-19-48(90(83,84)85)52(54(78)36(26)24-33)76-66-32-9-7-31(8-10-32)65-45-17-11-34(25-47(45)89(80,81)82)68-73-46-18-12-35-49(51(46)75-71-43-15-4-29(59)22-39(43)63)56(91(86,87)88)55(79)53(77-72-44-16-5-30(60)23-40(44)64)50(35)74-70-42-14-3-28(58)21-38(42)62;;;/h1-25,65,78-79H,57-64H2,(H,80,81,82)(H,83,84,85)(H,86,87,88);;;/q;3*+1/p-3/b69-67+,73-68+,74-70+,75-71+,76-66+,77-72+;;;

InChIKey

NCPIAAYXKACKIS-HBQOWMFMSA-K

Smiles

[Li+].[Li+].[Li+].c1cc(ccc1Nc2ccc(cc2S(=O)(=O)[O-])/N=N/c3ccc4c(c3/N=N/c5ccc(cc5N)N)c(c(c(c4/N=N/c6ccc(cc6N)N)/N=N/c7ccc(cc7N)N)O)S(=O)(=O)[O-])/N=N/c8c(cc9ccc(cc9c8O)/N=N/c1ccc(cc1N)N)S(=O)(=O)[O-]