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ZWO

Summary
Name:Ru2(DPhF)(CO3)3
Formula:C16 H12 N2 O9 Ru2
Formal charge:0
Formula weight:578.414 Da
Component type:non-polymer
Ambiguous Chemistry Warning:The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C13H12N2.3CH2O3.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;3*2-1(3)4;;/h1-10H,11H2;3*(H2,2,3,4);;/q-2;;;;2*+4/p-6
InChIKeyInChI1.06TZCHHEUOTVFLIC-UHFFFAOYSA-H
SMILES_CANONICALCACTVS3.385O=C1O[Ru]23OC(=O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
SMILESCACTVS3.385O=C1O[Ru]23OC(=O)O[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccccc6
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]345[Ru]2(OC(=O)O3)(OC(=O)O4)OC(=O)O5)c6ccccc6

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PDB entries from 2024-06-19

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