Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Calcium copper (ethylenedinitrilo)tetraacetate
RN: 5497-52-9
InChIKey: XFPKIWIILOFYRR-OVCLIPMQSA-N

Molecular Formula

  • C10-H12-N2-O8.Ca.Cu

Molecular Weight

  • 497.7516
 
* 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

  • Calcium copper (ethylenedinitrilo)tetraacetate

Synonyms

  • Calcium copper (ethylenedinitrilo)tetraacetate
  • EINECS 226-832-6

Systematic Names

  • Acetic acid, (ethylenedinitrilo)tetra-, calcium copper salt (1:1:1)
  • Calcium ((N,N'-ethylenebis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')cuprate(2-)

Registry Numbers

CAS Registry Number

  • 5497-52-9

System Generated Number

  • 0005497529

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O8.Ca.Cu

Molecular Formula Fragments

  • C10-H12-N2-O8
  • Ca
  • COMPONENT
  • Cu

Structure Descriptors

InChI

1S/C19H14BrClN2O5S/c1-27-14-7-10(6-13(20)17(14)28-9-16(24)25)8-15-18(26)23-19(29-15)22-12-4-2-11(21)3-5-12/h2-8H,9H2,1H3,(H,24,25)(H,22,23,26)/b15-8+

InChIKey

XFPKIWIILOFYRR-OVCLIPMQSA-N

Smiles

COc1cc(\C=C/2\SC(=NC2=O)Nc3ccc(Cl)cc3)cc(Br)c1OCC(=O)O