carbon monoxide; dimethyl 2-methyl-2-[(3Z)-5-methylhexa-3,5-dien-2-yl]propanedioate; iron

Systemtic Name: carbon monoxide; dimethyl 2-methyl-2-[(3Z)-5-methylhexa-3,5-dien-2-yl]propanedioate; iron Openeye Name: carbon monoxide; dimethyl 2-[(2Z)-1,4-dimethylpenta-2,4-dienyl]-2-methyl-propanedioate; iron CAS Name: carbon monoxide; iron; 2-methyl-2-[(3Z)-5-methylhexa-3,5-dien-2-yl]propanedioic acid dimethyl ester IUPAC Name: carbon monoxide; dimethyl 2-methyl-2-[(3Z)-5-methylhexa-3,5-dien-2-yl]propanedioate; iron Traditional Name: carbon monoxide; 2-[(2Z)-1,4-dimethylpenta-2,4-dienyl]-2-methyl-malonic acid dimethyl ester; iron Formula: C16H20FeO7 MolecularWeight: 380.1708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4.3CO.Fe/c1-9(2)7-8-10(3)13(4,11(14)16-5)12(15)17-6;3*1-2;/h7-8,10H,1H2,2-6H3;;;;/b8-7-;;;;