RUI

Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium

Created: 2013-07-23
Last modified:  2014-05-21

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count38
Aromatic Bond Count16
2D diagram of RUI
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Chemical Component Summary

NameCyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium
FormulaC18 H7 N2 O2 Ru
Molecular Weight384.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385[Ru]|1|2|3|45(|[C-]#[O+])(|C6C|1=C|2C|3=C|46)|n7cccc8ccc9c(=O)[nH]cc5c9c78
SMILESOpenEye OEToolkits1.7.6c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O
Canonical SMILESCACTVS3.385 [Ru]|1|2|3|45(|[C-]#[O+])(|C6C|1=C|2C|3=C|46)|n7cccc8ccc9c(=O)[nH]cc5c9c78
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(C9=C5[C]6C7=C89)C#O
InChIInChI1.03 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;;
InChIKeyInChI1.03 KWEXAKARNWEITR-UHFFFAOYSA-N