carbon monoxide; iron; (5E,7E)-2-methylnona-1,5,7-trien-4-one

Systemtic Name: carbon monoxide; iron; (5E,7E)-2-methylnona-1,5,7-trien-4-one Openeye Name: carbon monoxide; iron; (5E,7E)-2-methylnona-1,5,7-trien-4-one CAS Name: carbon monoxide; iron; (5E,7E)-2-methyl-4-nona-1,5,7-trienone IUPAC Name: carbon monoxide; iron; (5E,7E)-2-methylnona-1,5,7-trien-4-one Traditional Name: carbon monoxide; iron; (5E,7E)-2-methylnona-1,5,7-trien-4-one Formula: C13H14FeO4 MolecularWeight: 290.09286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14O.3CO.Fe/c1-4-5-6-7-10(11)8-9(2)3;3*1-2;/h4-7H,2,8H2,1,3H3;;;;/b5-4+,7-6+;;;;