carbon monoxide; iron; (4E,6E)-7-phenylhepta-1,4,6-trien-3-one

Systemtic Name: carbon monoxide; iron; (4E,6E)-7-phenylhepta-1,4,6-trien-3-one Openeye Name: carbon monoxide; iron; (4E,6E)-7-phenylhepta-1,4,6-trien-3-one CAS Name: carbon monoxide; iron; (4E,6E)-7-phenyl-3-hepta-1,4,6-trienone IUPAC Name: carbon monoxide; iron; (4E,6E)-7-phenylhepta-1,4,6-trien-3-one Traditional Name: carbon monoxide; iron; (4E,6E)-7-phenylhepta-1,4,6-trien-3-one Formula: C16H12FeO4 MolecularWeight: 324.10908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=CC(=O)/C=C/C=C/C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C13H12O.3CO.Fe/c1-2-13(14)11-7-6-10-12-8-4-3-5-9-12;3*1-2;/h2-11H,1H2;;;;/b10-6+,11-7+;;;;