RUI

Summary

Name:	Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium
Formula:	C18 H7 N2 O2 Ru
Formal charge:	0
Formula weight:	384.33 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	1.03	InChI=1S/C12H7N2O.C5H.CO.Ru/c15-12-10-4-3-8-2-1-6-13-11(8)9(10)5-7-14-12;1-2-4-5-3-1;1-2;/h1-4,6-7H,(H,14,15);1H;;
InChIKey	InChI	1.03	KWEXAKARNWEITR-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	[Ru]\|1\|2\|3\|45(\|[C-]#[O+])(\|C6C\|1=C\|2C\|3=C\|46)\|n7cccc8ccc9c(=O)[nH]cc5c9c78
SMILES	CACTVS	3.385	[Ru]\|1\|2\|3\|45(\|[C-]#[O+])(\|C6C\|1=C\|2C\|3=C\|46)\|n7cccc8ccc9c(=O)[nH]cc5c9c78
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O
SMILES	OpenEye OEToolkits	1.7.6	c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O