Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Tetrasodium 2,2'-(carbonylbis(imino(2-methyl-p-phenylene)azo(3-sulphonato-p-phenylene)))bis(6-methylbenzothiazole-7-sulphonate)
RN: 85099-38-3
InChIKey: LYSPTSQQNJFEIX-QSUZDMJLSA-N

Molecular Formula

  • C43-H34-N8-O13-S6.4Na

Molecular Weight

  • 1155.1406
 
* 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 285-494-8

Systematic Name

  • Tetrasodium 2,2'-(carbonylbis(imino(2-methyl-p-phenylene)azo(3-sulphonato-p-phenylene)))bis(6-methylbenzothiazole-7-sulphonate)

Registry Numbers

CAS Registry Number

  • 85099-38-3

System Generated Number

  • 0085099383

Molecular Formulas

Molecular Formula

  • C43-H34-N8-O13-S6.4Na

Molecular Formula Fragments

  • C43-H34-N8-O13-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C43H34N8O13S6.4Na/c1-21-5-11-33-37(39(21)69(59,60)61)65-41(46-33)25-7-13-31(35(19-25)67(53,54)55)50-48-29-15-9-27(17-23(29)3)44-43(52)45-28-10-16-30(24(4)18-28)49-51-32-14-8-26(20-36(32)68(56,57)58)42-47-34-12-6-22(2)40(38(34)66-42)70(62,63)64;;;;/h5-20H,1-4H3,(H2,44,45,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/b50-48+,51-49+;;;;

InChIKey

LYSPTSQQNJFEIX-QSUZDMJLSA-N

Smiles

[Na+].[Na+].[Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)O)c3ccc(N=Nc4ccc(NC(=O)Nc5ccc(N=Nc6ccc(cc6S(=O)(=O)O)c7nc8ccc(C)c(c8s7)S(=O)(=O)O)c(C)c5)cc4C)c(c3)S(=O)(=O)O