Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 285-626-4
RN: 85117-77-7
InChIKey: YTCJCJYPHZMQTK-UHFFFAOYSA-N

Molecular Formula

  • C36-H18-Cl6-N12-O20-S6.6Na

Molecular Weight

  • 1481.6562
 
* 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

Results Name

  • EINECS 285-626-4

Synonym

  • EINECS 285-626-4

Systematic Name

  • Hexasodium 6,13-dichloro-3,10-bis((4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)disulphonatophenyl)amino)triphenodioxazine-4,11-disulphonate

Registry Numbers

CAS Registry Number

  • 85117-77-7

System Generated Number

  • 0085117777

Molecular Formulas

Molecular Formula

  • C36-H18-Cl6-N12-O20-S6.6Na

Molecular Formula Fragments

  • C36-H18-Cl6-N12-O20-S6
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C36H18Cl6N12O20S6.6Na/c37-18-20-25(74-23-10(45-20)1-2-11(26(23)76(58,59)60)44-13-4-6-15(48-36-53-33(41)50-34(42)54-36)30(80(70,71)72)28(13)78(64,65)66)19(38)21-24(18)73-22-16(46-21)7-9(8-17(22)75(55,56)57)43-12-3-5-14(47-35-51-31(39)49-32(40)52-35)29(79(67,68)69)27(12)77(61,62)63;;;;;;/h1-8,43-44H,(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,47,49,51,52)(H,48,50,53,54);;;;;;/q;6*+1

InChIKey

YTCJCJYPHZMQTK-UHFFFAOYSA-N

Smiles

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].OS(=O)(=O)c1cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(c2S(=O)(=O)O)S(=O)(=O)O)cc4N=C5C(=C6Oc7c(ccc(Nc8ccc(Nc9nc(Cl)nc(Cl)n9)c(c8S(=O)(=O)O)S(=O)(=O)O)c7S(=O)(=O)O)N=C6C(=C5Oc14)Cl)Cl