carbon monoxide; ethyl (3E,5E)-2-oxidanylidenehepta-3,5-dienoate; iron

Systemtic Name: carbon monoxide; ethyl (3E,5E)-2-oxidanylidenehepta-3,5-dienoate; iron Openeye Name: carbon monoxide; ethyl (3E,5E)-2-oxohepta-3,5-dienoate; iron CAS Name: carbon monoxide; iron; (3E,5E)-2-oxohepta-3,5-dienoic acid ethyl ester IUPAC Name: carbon monoxide; ethyl (3E,5E)-2-oxohepta-3,5-dienoate; iron Traditional Name: carbon monoxide; iron; (3E,5E)-2-ketohepta-3,5-dienoic acid ethyl ester Formula: C12H12FeO6 MolecularWeight: 308.06508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3.3CO.Fe/c1-3-5-6-7-8(10)9(11)12-4-2;3*1-2;/h3,5-7H,4H2,1-2H3;;;;/b5-3+,7-6+;;;;