carbon monoxide; iron; [(2R,3E,5E)-7-oxidanylidenehepta-3,5-dien-2-yl] ethanoate

Systemtic Name: carbon monoxide; iron; [(2R,3E,5E)-7-oxidanylidenehepta-3,5-dien-2-yl] ethanoate Openeye Name: carbon monoxide; iron; [(1R,2E,4E)-1-methyl-6-oxo-hexa-2,4-dienyl] acetate CAS Name: acetic acid [(2R,3E,5E)-7-oxohepta-3,5-dien-2-yl] ester; carbon monoxide; iron IUPAC Name: carbon monoxide; iron; [(2R,3E,5E)-7-oxohepta-3,5-dien-2-yl] acetate Traditional Name: acetic acid [(1R,2E,4E)-6-keto-1-methyl-hexa-2,4-dienyl] ester; carbon monoxide; iron Formula: C12H12FeO6 MolecularWeight: 308.06508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12O3.3CO.Fe/c1-8(12-9(2)11)6-4-3-5-7-10;3*1-2;/h3-8H,1-2H3;;;;/b5-3+,6-4+;;;;/t8-;;;;/m1..../s1