ZJK

1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

Created:2023-06-27
Last modified:  2023-09-13

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count0
Bond Count69
Aromatic Bond Count24
2D diagram of ZJK

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Chemical Component Summary

Name1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
Systematic Name (OpenEye OEToolkits)1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
FormulaC27 H27 N4 O3 Ru2
Molecular Weight657.668
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc5)c6ccccc6)OCO4)O)c7ccccc7
Canonical SMILESCACTVS3.385 O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc5)c6ccccc6)OCO4)O)c7ccccc7
InChIInChI1.06 InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3;;;/h2*1-10H,11H2;1H2;1H2;;/q3*-2;;+3;+4/p-1
InChIKeyInChI1.06 CVAAOOFKUNUXPY-UHFFFAOYSA-M