carbon monoxide; iron; (E)-4-phenylbut-3-en-2-one

Systemtic Name: carbon monoxide; iron; (E)-4-phenylbut-3-en-2-one Openeye Name: carbon monoxide; iron; (E)-4-phenylbut-3-en-2-one CAS Name: carbon monoxide; iron; (E)-4-phenyl-3-buten-2-one IUPAC Name: carbon monoxide; iron; (E)-4-phenylbut-3-en-2-one Traditional Name: carbon monoxide; iron; (E)-4-phenylbut-3-en-2-one Formula: C13H10FeO4 MolecularWeight: 286.0611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10O.3CO.Fe/c1-9(11)7-8-10-5-3-2-4-6-10;3*1-2;/h2-8H,1H3;;;;/b8-7+;;;;