carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one

Systemtic Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one Openeye Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one CAS Name: carbon monoxide; iron; 2,6,6-trimethyl-1-cyclohepta-2,4-dienone IUPAC Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one Traditional Name: carbon monoxide; iron; 2,6,6-trimethylcyclohepta-2,4-dien-1-one Formula: C13H14FeO4 MolecularWeight: 290.09286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.3CO.Fe/c1-8-5-4-6-10(2,3)7-9(8)11;3*1-2;/h4-6H,7H2,1-3H3;;;;