carbon monoxide; iron; 4-methylcyclohexa-2,4-dien-1-one

Systemtic Name: carbon monoxide; iron; 4-methylcyclohexa-2,4-dien-1-one Openeye Name: carbon monoxide; iron; 4-methylcyclohexa-2,4-dien-1-one CAS Name: carbon monoxide; iron; 4-methyl-1-cyclohexa-2,4-dienone IUPAC Name: carbon monoxide; iron; 4-methylcyclohexa-2,4-dien-1-one Traditional Name: carbon monoxide; iron; 4-methylcyclohexa-2,4-dien-1-one Formula: C10H8FeO4 MolecularWeight: 248.01312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=O)C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=CCC(=O)C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C7H8O.3CO.Fe/c1-6-2-4-7(8)5-3-6;3*1-2;/h2-4H,5H2,1H3;;;;