carbon monoxide; iron; methyl butanoate; hexafluorophosphate

Systemtic Name: carbon monoxide; iron; methyl butanoate; hexafluorophosphate Openeye Name: carbon monoxide; iron; methyl butanoate; hexafluorophosphate CAS Name: butanoic acid methyl ester; carbon monoxide; iron; hexafluorophosphate IUPAC Name: carbon monoxide; iron; methyl butanoate; hexafluorophosphate Traditional Name: butyric acid methyl ester; carbon monoxide; iron; hexafluorophosphate Formula: C9H7F6FeO6P- MolecularWeight: 411.95746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)[CH][CH][CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

Isomeric SMILES

COC(=O)[CH][CH][CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].F[P-](F)(F)(F)(F)F.[Fe]

InChI

InChI=1S/C5H7O2.4CO.F6P.Fe/c1-3-4-5(6)7-2;4*1-2;1-7(2,3,4,5)6;/h3-4H,1H2,2H3;;;;;;/q;;;;;-1;