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Substance Name: Bis(9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) dicopper(1+) hexa(cyano-C)ferrate(4-)
RN: 79665-42-2
InChIKey: QJTHTIKJWBNCOV-UHFFFAOYSA-P

Molecular Formula

  • C28-H31-N2-O3.1/2C6-Fe-N6.Cu

Molecular Weight

  • 1226.17
 
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Names and Synonyms

Synonym

  • EINECS 279-229-5

Systematic Names

  • Bis(9-(o-carboxyphenyl)-3,6-bis(diethylamino)xanthylium) dicopper(1+) hexa(cyano-C)ferrate(4-)
  • Xanthylium, 9-(2-carboxyphenyl)-3,6-bis(diethylamino)-, copper(1++) (OC-6-11)-hexakis(cyano-C)ferrate(4-) (2:2:1)

Registry Numbers

CAS Registry Number

  • 79665-42-2

System Generated Number

  • 0079665422

Molecular Formulas

Molecular Formula

  • C28-H31-N2-O3.1/2C6-Fe-N6.Cu

Molecular Formula Fragments

  • C28-H31-N2-O3
  • C6-Fe-N6
  • COMPONENT
  • Cu

Structure Descriptors

InChI

1S/2C28H30N2O3.6CN.2Cu.Fe/c2*1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;6*1-2;;;/h2*9-18H,5-8H2,1-4H3;;;;;;;;;/q;;6*-1;2*+1;+2/p+2

InChIKey

QJTHTIKJWBNCOV-UHFFFAOYSA-P

Smiles

c1c(N(CC)CC)cc2[o+]c3cc(ccc3c(c3c(cccc3)C(O)=O)c2c1)N(CC)CC.[C-]#N.[Cu+].[Cu+].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+2].c1c(N(CC)CC)cc2[o+]c3cc(ccc3c(c3c(cccc3)C(O)=O)c2c1)N(CC)CC