carbon monoxide; dimethyl 2-[(1E)-3-methylbuta-1,3-dienyl]propanedioate; iron

Systemtic Name: carbon monoxide; dimethyl 2-[(1E)-3-methylbuta-1,3-dienyl]propanedioate; iron Openeye Name: carbon monoxide; dimethyl 2-[(1E)-3-methylbuta-1,3-dienyl]propanedioate; iron CAS Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]propanedioic acid dimethyl ester IUPAC Name: carbon monoxide; dimethyl 2-[(1E)-3-methylbuta-1,3-dienyl]propanedioate; iron Traditional Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]malonic acid dimethyl ester Formula: C13H14FeO7 MolecularWeight: 338.09106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O4.3CO.Fe/c1-7(2)5-6-8(9(11)13-3)10(12)14-4;3*1-2;/h5-6,8H,1H2,2-4H3;;;;/b6-5+;;;;