ZXE

Summary

Name:	Ru2(DPhF)(CO3)2(Formate)
Formula:	C16 H14 N2 O8 Ru2
Formal charge:	0
Formula weight:	564.431 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/C13H12N2.2CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;22-1(3)4;2-1-3;;/h1-10H,11H2;2(H2,2,3,4);1H2;;/q-2;;;-2;2*+4/p-4
InChIKey	InChI	1.06	VXNQBXDONZSVPB-UHFFFAOYSA-J
SMILES_CANONICAL	CACTVS	3.385	O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
SMILES	CACTVS	3.385	O=C1O[Ru]23OCO[Ru](O1)(OC(=O)O2)N(CN3c4ccccc4)c5ccccc5
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O)O4)OC(=O)O5)c6ccccc6
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)N2CN([Ru]345[Ru]2(OCO3)(OC(=O)O4)OC(=O)O5)c6ccccc6