REI

Tricarbonyl (aqua) (imidazole) rhenium(I)

Created:2011-02-03
Last modified:  2011-02-03

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Chemical Details

Formal Charge1
Atom Count19
Chiral Atom Count0
Bond Count19
Aromatic Bond Count5
2D diagram of REI

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Chemical Component Summary

NameTricarbonyl (aqua) (imidazole) rhenium(I)
Systematic Name (OpenEye OEToolkits)1H-imidazol-3-yl-$l^{3}-oxidanyl-tris($l^{3}-oxidanylidynemethyl)rhenium(1+)
FormulaC6 H6 N2 O4 Re
Molecular Weight356.33
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.370O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1
SMILESOpenEye OEToolkits1.7.0C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]
Canonical SMILESCACTVS3.370 O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|n1c[nH]cc1
Canonical SMILESOpenEye OEToolkits1.7.0 C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]
InChIInChI1.02 InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1;3*1-2;;/h1-3H,(H,4,5);;;;1H2;/q;;;;;+1
InChIKeyInChI1.02 KPOHHEXTCRHHSE-UHFFFAOYSA-N