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ZWL

Summary
Name:[Ru2(DPhF)(Formate)(CO3)]
Formula:C15 H14 N2 O5 Ru2
Formal charge:0
Formula weight:504.422 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.79,11-diphenyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C13H12N2.CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4;2-1-3;;/h1-10H,11H2;(H2,2,3,4);1H2;;/q-2;;-2;2*+3/p-2
InChIKeyInChI1.06BRHWNNYPQHZNLT-UHFFFAOYSA-L
SMILES_CANONICALCACTVS3.385O=C1O[Ru@]23OCO[Ru@@]2(O1)N(CN3c4ccccc4)c5ccccc5
SMILESCACTVS3.385O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)OC(=O)O4)c5ccccc5
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)OC(=O)O4)c5ccccc5

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PDB entries from 2024-09-11

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