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ZJO

Summary
Name:1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane
Formula:C26 H25 N4 O Ru2
Formal charge:0
Formula weight:611.643 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.71-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;;;/h2*1-10H,11H2;1H2;;/q2*-2;;+2;+3/p-1
InChIKeyInChI1.06PDMORHSIDGQFCT-UHFFFAOYSA-M
SMILES_CANONICALCACTVS3.385O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5
SMILESCACTVS3.385O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4)c5ccccc5)O)c6ccccc6
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4)c5ccccc5)O)c6ccccc6

223532

数据于2024-08-07公开中

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