carbon monoxide; iron; 3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-one

Systemtic Name: carbon monoxide; iron; 3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-one Openeye Name: carbon monoxide; iron; 3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexanone CAS Name: carbon monoxide; iron; 3-[(1E)-3-methylbuta-1,3-dienyl]-1-cyclohexanone IUPAC Name: carbon monoxide; iron; 3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexan-1-one Traditional Name: carbon monoxide; iron; 3-[(1E)-3-methylbuta-1,3-dienyl]cyclohexanone Formula: C14H16FeO4 MolecularWeight: 304.11944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=CC1CCCC(=O)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=C)/C=C/C1CCCC(=O)C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C11H16O.3CO.Fe/c1-9(2)6-7-10-4-3-5-11(12)8-10;3*1-2;/h6-7,10H,1,3-5,8H2,2H3;;;;/b7-6+;;;;