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Substance Name: Benzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium, N,N,N',N'-tetraethyl-1,3,6,8-tetraoxo-, diiodide
RN: 81253-94-3
InChIKey: NXJPCXMRUGNNLX-UHFFFAOYSA-L

Molecular Formula

  • C34-H50-N4-O4.2I

Molecular Weight

  • 832.593
 
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Names and Synonyms

Synonym

  • N,N,N',N'-Tetraethyl-1,3,6,8-tetraoxobenzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium diiodide

Systematic Name

  • Benzo(lmn)(3,8)phenanthroline-2,7-dibutanaminium, N,N,N',N'-tetraethyl-1,3,6,8-tetraoxo-, diiodide

Registry Numbers

CAS Registry Number

  • 81253-94-3

System Generated Number

  • 0081253943

Molecular Formulas

Molecular Formula

  • C34-H50-N4-O4.2I

Molecular Formula Fragments

  • C34-H50-N4-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C34H50N4O4.2HI/c1-9-37(7,10-2)21-13-15-23(5)35-31(39)25-17-19-27-30-28(20-18-26(29(25)30)32(35)40)34(42)36(33(27)41)24(6)16-14-22-38(8,11-3)12-4;;/h17-20,23-24H,9-16,21-22H2,1-8H3;2*1H/q+2;;/p-2

InChIKey

NXJPCXMRUGNNLX-UHFFFAOYSA-L

Smiles

C1(=O)c2c3c(C(=O)N1[C@@H](C)CCC[N+](CC)(CC)C)ccc1c3c(cc2)C(N(C1=O)[C@@H](CCC[N+](CC)(CC)C)C)=O.[IH-].[IH-]