carbon monoxide; iron; (4E)-6-methylhepta-4,6-dien-2-one

Systemtic Name: carbon monoxide; iron; (4E)-6-methylhepta-4,6-dien-2-one Openeye Name: carbon monoxide; iron; (4E)-6-methylhepta-4,6-dien-2-one CAS Name: carbon monoxide; iron; (4E)-6-methyl-2-hepta-4,6-dienone IUPAC Name: carbon monoxide; iron; (4E)-6-methylhepta-4,6-dien-2-one Traditional Name: carbon monoxide; iron; (4E)-6-methylhepta-4,6-dien-2-one Formula: C11H12FeO4 MolecularWeight: 264.05558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12O.3CO.Fe/c1-7(2)5-4-6-8(3)9;3*1-2;/h4-5H,1,6H2,2-3H3;;;;/b5-4+;;;;