carbon monoxide; iron; [(3E,5E)-2-oxidanylidenehepta-3,5-dienyl] ethanoate

Systemtic Name: carbon monoxide; iron; [(3E,5E)-2-oxidanylidenehepta-3,5-dienyl] ethanoate Openeye Name: carbon monoxide; iron; [(3E,5E)-2-oxohepta-3,5-dienyl] acetate CAS Name: acetic acid [(3E,5E)-2-oxohepta-3,5-dienyl] ester; carbon monoxide; iron IUPAC Name: carbon monoxide; iron; [(3E,5E)-2-oxohepta-3,5-dienyl] acetate Traditional Name: acetic acid [(3E,5E)-2-ketohepta-3,5-dienyl] ester; carbon monoxide; iron Formula: C12H12FeO6 MolecularWeight: 308.06508

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)COC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C/C=C/C=C/C(=O)COC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H12O3.3CO.Fe/c1-3-4-5-6-9(11)7-12-8(2)10;3*1-2;/h3-6H,7H2,1-2H3;;;;/b4-3+,6-5+;;;;