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

Systemtic Name: carbon monoxide; iron; 6-propan-2-ylidenecyclohepta-2,4-dien-1-one Openeye Name: carbon monoxide; iron; 6-isopropylidenecyclohepta-2,4-dien-1-one CAS Name: carbon monoxide; iron; 6-propan-2-ylidene-1-cyclohepta-2,4-dienone IUPAC Name: carbon monoxide; iron; 6-propan-2-ylidenecyclohepta-2,4-dien-1-one Traditional Name: carbon monoxide; iron; 6-isopropylidenecyclohepta-2,4-dien-1-one Formula: C13H12FeO4 MolecularWeight: 288.07698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CC(=O)C=CC=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=C1CC(=O)C=CC=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H12O.3CO.Fe/c1-8(2)9-5-3-4-6-10(11)7-9;3*1-2;/h3-6H,7H2,1-2H3;;;;