carbon monoxide; 2-(5-cyano-4-methoxy-cyclohexa-1,3-dien-1-yl)ethyl ethanoate; iron

Systemtic Name: carbon monoxide; 2-(5-cyano-4-methoxy-cyclohexa-1,3-dien-1-yl)ethyl ethanoate; iron Openeye Name: carbon monoxide; 2-(5-cyano-4-methoxy-cyclohexa-1,3-dien-1-yl)ethyl acetate; iron CAS Name: acetic acid 2-(5-cyano-4-methoxy-1-cyclohexa-1,3-dienyl)ethyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; 2-(5-cyano-4-methoxycyclohexa-1,3-dien-1-yl)ethyl acetate; iron Traditional Name: acetic acid 2-(5-cyano-4-methoxy-cyclohexa-1,3-dien-1-yl)ethyl ester; carbon monoxide; iron Formula: C15H15FeNO6 MolecularWeight: 361.1277

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1=CC=C(C(C1)C#N)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=O)OCCC1=CC=C(C(C1)C#N)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C12H15NO3.3CO.Fe/c1-9(14)16-6-5-10-3-4-12(15-2)11(7-10)8-13;3*1-2;/h3-4,11H,5-7H2,1-2H3;;;;