carbon monoxide; ethyl 5-methyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate; iron

Systemtic Name: carbon monoxide; ethyl 5-methyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate; iron Openeye Name: carbon monoxide; ethyl 5-methyl-6-oxo-cyclohexa-1,3-diene-1-carboxylate; iron CAS Name: carbon monoxide; iron; 5-methyl-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: carbon monoxide; ethyl 5-methyl-6-oxocyclohexa-1,3-diene-1-carboxylate; iron Traditional Name: carbon monoxide; iron; 6-keto-5-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C13H12FeO6 MolecularWeight: 320.07578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12O3.3CO.Fe/c1-3-13-10(12)8-6-4-5-7(2)9(8)11;3*1-2;/h4-7H,3H2,1-2H3;;;;