A1IQW

Summary

Name:	[Ru2-N,N'-diphenylformamidinate(O2CCH3)2(O2CO)] complex
Synonyms:	Diruthenium complex
Formula:	C18 H15 F2 N2 O7 Ru2
Formal charge:	0
Formula weight:	611.458 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

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C13H9F2N2.2C2H4O2.CH2O3.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;21-2(3)4;2-1(3)4;;/h1-9H;21H3,(H,3,4);(H2,2,3,4);;/q-1;;;;+1;+4/p-4
InChIKey	InChI	1.06	SGNOFJFBIMDYBK-UHFFFAOYSA-J
SMILES_CANONICAL	CACTVS	3.385	CC(=O)[O-].CC(=O)[O-].[O-]C(=O)O[Ru++]N(C=[N-]([Ru++])c1ccc(F)cc1)c2ccc(F)cc2
SMILES	CACTVS	3.385	CC(=O)[O-].CC(=O)[O-].[O-]C(=O)O[Ru++]N(C=[N-]([Ru++])c1ccc(F)cc1)c2ccc(F)cc2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O-]C(=O3)C)[O-]C(=O)O4)c5ccc(cc5)F)c6ccc(cc6)F
SMILES	OpenEye OEToolkits	2.0.7	CC1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O-]C(=O3)C)[O-]C(=O)O4)c5ccc(cc5)F)c6ccc(cc6)F