carbon monoxide; (3E)-2,5-dimethyl-2-phenyl-hexa-3,5-dienal; iron

Systemtic Name: carbon monoxide; (3E)-2,5-dimethyl-2-phenyl-hexa-3,5-dienal; iron Openeye Name: carbon monoxide; (3E)-2,5-dimethyl-2-phenyl-hexa-3,5-dienal; iron CAS Name: carbon monoxide; (3E)-2,5-dimethyl-2-phenylhexa-3,5-dienal; iron IUPAC Name: carbon monoxide; (3E)-2,5-dimethyl-2-phenylhexa-3,5-dienal; iron Traditional Name: carbon monoxide; (3E)-2,5-dimethyl-2-phenyl-hexa-3,5-dienal; iron Formula: C17H16FeO4 MolecularWeight: 340.15154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O.3CO.Fe/c1-12(2)9-10-14(3,11-15)13-7-5-4-6-8-13;3*1-2;/h4-11H,1H2,2-3H3;;;;/b10-9+;;;;