carbon monoxide; iron; methyl 2-cyclohexa-2,4-dien-1-ylethanoate

Systemtic Name: carbon monoxide; iron; methyl 2-cyclohexa-2,4-dien-1-ylethanoate Openeye Name: carbon monoxide; iron; methyl 2-cyclohexa-2,4-dien-1-ylacetate CAS Name: carbon monoxide; 2-(1-cyclohexa-2,4-dienyl)acetic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl 2-cyclohexa-2,4-dien-1-ylacetate Traditional Name: carbon monoxide; 2-cyclohexa-2,4-dien-1-ylacetic acid methyl ester; iron Formula: C12H12FeO5 MolecularWeight: 292.06568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC(=O)CC1CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H12O2.3CO.Fe/c1-11-9(10)7-8-5-3-2-4-6-8;3*1-2;/h2-5,8H,6-7H2,1H3;;;;