carbon monoxide; dimethyl 2-(4-methylcyclohexa-2,4-dien-1-yl)propanedioate; iron

Systemtic Name: carbon monoxide; dimethyl 2-(4-methylcyclohexa-2,4-dien-1-yl)propanedioate; iron Openeye Name: carbon monoxide; dimethyl 2-(4-methylcyclohexa-2,4-dien-1-yl)propanedioate; iron CAS Name: carbon monoxide; iron; 2-(4-methyl-1-cyclohexa-2,4-dienyl)propanedioic acid dimethyl ester IUPAC Name: carbon monoxide; dimethyl 2-(4-methylcyclohexa-2,4-dien-1-yl)propanedioate; iron Traditional Name: carbon monoxide; iron; 2-(4-methylcyclohexa-2,4-dien-1-yl)malonic acid dimethyl ester Formula: C15H16FeO7 MolecularWeight: 364.12834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C=C1)C(C(=O)OC)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=CCC(C=C1)C(C(=O)OC)C(=O)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C12H16O4.3CO.Fe/c1-8-4-6-9(7-5-8)10(11(13)15-2)12(14)16-3;3*1-2;/h4-6,9-10H,7H2,1-3H3;;;;