Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: EINECS 245-651-3
RN: 23422-12-0
InChIKey: ROHGQIQUQCTSOK-UHFFFAOYSA-K

Molecular Formula

  • C29-H20-Cl-N7-O11-S3.3Na

Molecular Weight

  • 840.112
 
* 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

Results Name

  • EINECS 245-651-3

Synonym

  • EINECS 245-651-3

Systematic Names

  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, sodium salt (1:3)
  • 2-Anthracenesulfonic acid, 1-amino-4-((3-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-, trisodium salt
  • Trisodium 1-amino-4-(3-((4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl)amino)-4-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

Registry Numbers

CAS Registry Number

  • 23422-12-0

Related Registry Number

  • 16823-51-1 (Parent)

System Generated Number

  • 0023422120

Molecular Formulas

Molecular Formula

  • C29-H20-Cl-N7-O11-S3.3Na

Molecular Formula Fragments

  • C29-H20-Cl-N7-O11-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3

InChIKey

ROHGQIQUQCTSOK-UHFFFAOYSA-K

Smiles

S(c1cc(ccc1)Nc1nc(Nc2cc(Nc3c4c(C(c5c(cccc5)C4=O)=O)c(c(S(=O)(=O)[O-])c3)N)ccc2S(=O)(=O)[O-])nc(n1)Cl)(=O)(=O)[O-].[Na+].[Na+].[Na+]