carbon monoxide; iron; (5E,7E)-3-phenylnona-1,5,7-trien-4-one

Systemtic Name: carbon monoxide; iron; (5E,7E)-3-phenylnona-1,5,7-trien-4-one Openeye Name: carbon monoxide; iron; (5E,7E)-3-phenylnona-1,5,7-trien-4-one CAS Name: carbon monoxide; iron; (5E,7E)-3-phenyl-4-nona-1,5,7-trienone IUPAC Name: carbon monoxide; iron; (5E,7E)-3-phenylnona-1,5,7-trien-4-one Traditional Name: carbon monoxide; iron; (5E,7E)-3-phenylnona-1,5,7-trien-4-one Formula: C18H16FeO4 MolecularWeight: 352.16224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O.3CO.Fe/c1-3-5-7-12-15(16)14(4-2)13-10-8-6-9-11-13;3*1-2;/h3-12,14H,2H2,1H3;;;;/b5-3+,12-7+;;;;