Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Cuprate(4-), (4-amino-5-hydroxy-6-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-1,3-naphthalenedisulfonato(6-))-, hydrogen (1:4)
RN: 68516-99-4
InChIKey: MANHGELTTRWUGB-DKAPJEBSSA-L

Molecular Formula

  • C28-H17-Cu-N5-O18-S5.4H

Molecular Weight

  • 939.367
 
* 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

  • Cuprate(4-), (4-amino-5-hydroxy-6-((5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo-kappaN1)-7-sulfo-2-naphthalenyl)azo)-1,3-naphthalenedisulfonato(6-))-, tetrahydrogen
  • Cuprate(4-), (4-amino-5-hydroxy-6-(2-(5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl-kappaN1)-7-sulfo-2-naphthalenyl)diazenyl)-1,3-naphthalenedisulfonato(6-))-, hydrogen (1:4)

Registry Numbers

CAS Registry Number

  • 68516-99-4

System Generated Number

  • 0068516994

Molecular Formulas

Molecular Formula

  • C28-H17-Cu-N5-O18-S5.4H

Molecular Formula Fragments

  • C28-H17-Cu-N5-O18-S5
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C28H23N5O18S5.Cu/c29-25-22(54(42,43)44)12-21(53(39,40)41)17-4-6-19(28(36)24(17)25)32-30-14-1-3-16-13(9-14)10-23(55(45,46)47)26(27(16)35)33-31-18-5-2-15(11-20(18)34)52(37,38)8-7-51-56(48,49)50;/h1-6,9-12,34-36H,7-8,29H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);/q;+2/p-2/b32-30?,33-31+;

InChIKey

MANHGELTTRWUGB-DKAPJEBSSA-L

Smiles

S(OCCS(=O)(=O)c1cc(c(cc1)\N=N\c1c(c2ccc(\N=N/c3c(c4c(c(cc(c4cc3)S(O)(=O)=O)S(O)(=O)=O)N)O)cc2cc1S(O)(=O)=O)[O-])[O-])(=O)(=O)O.[Cu+2]