carbon monoxide; iron; 3-propan-2-ylcyclohepta-2,4,6-trien-1-one

Systemtic Name: carbon monoxide; iron; 3-propan-2-ylcyclohepta-2,4,6-trien-1-one Openeye Name: carbon monoxide; iron; 3-isopropylcyclohepta-2,4,6-trien-1-one CAS Name: carbon monoxide; iron; 3-propan-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: carbon monoxide; iron; 3-propan-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: carbon monoxide; iron; 3-isopropylcyclohepta-2,4,6-trien-1-one Formula: C13H12FeO4 MolecularWeight: 288.07698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC(=O)C=CC=C1.[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;/h3-8H,1-2H3;;;;