Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Sodium 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-4-((2-(sulphooxy)ethyl)sulphonyl)benzoate
RN: 85631-81-8
InChIKey: SQKJVCVSEFNCTC-UHFFFAOYSA-K

Molecular Formula

  • C23-H18-N2-O13-S3.x-Na

Molecular Weight

  • 692.5405
 
* 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 288-030-2

Systematic Name

  • Sodium 2-((4-amino-9,10-dihydro-9,10-dioxo-3-sulpho-1-anthryl)amino)-4-((2-(sulphooxy)ethyl)sulphonyl)benzoate

Registry Numbers

CAS Registry Number

  • 85631-81-8

System Generated Number

  • 0085631818

Molecular Formulas

Molecular Formula

  • C23-H18-N2-O13-S3.x-Na

Molecular Formula Fragments

  • C23-H18-N2-O13-S3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H18N2O13S3.3Na/c24-20-17(40(32,33)34)10-16(18-19(20)22(27)13-4-2-1-3-12(13)21(18)26)25-15-9-11(5-6-14(15)23(28)29)39(30,31)8-7-38-41(35,36)37;;;/h1-6,9-10,25H,7-8,24H2,(H,28,29)(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3

InChIKey

SQKJVCVSEFNCTC-UHFFFAOYSA-K

Smiles

c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)[O-])Nc4cc(ccc4C(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+]