carbon monoxide; iron; (4E,6E)-octa-4,6-dien-3-one

Systemtic Name: carbon monoxide; iron; (4E,6E)-octa-4,6-dien-3-one Openeye Name: carbon monoxide; iron; (4E,6E)-octa-4,6-dien-3-one CAS Name: carbon monoxide; iron; (4E,6E)-3-octa-4,6-dienone IUPAC Name: carbon monoxide; iron; (4E,6E)-octa-4,6-dien-3-one Traditional Name: carbon monoxide; iron; (4E,6E)-octa-4,6-dien-3-one Formula: C11H12FeO4 MolecularWeight: 264.05558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O.3CO.Fe/c1-3-5-6-7-8(9)4-2;3*1-2;/h3,5-7H,4H2,1-2H3;;;;/b5-3+,7-6+;;;;