carbon monoxide; iron; (3E)-4-phenyl-2-propan-2-yl-buta-1,3-dien-1-one

Systemtic Name: carbon monoxide; iron; (3E)-4-phenyl-2-propan-2-yl-buta-1,3-dien-1-one Openeye Name: carbon monoxide; iron; (3E)-2-isopropyl-4-phenyl-buta-1,3-dien-1-one CAS Name: carbon monoxide; iron; (3E)-4-phenyl-2-propan-2-yl-1-buta-1,3-dienone IUPAC Name: carbon monoxide; iron; (3E)-4-phenyl-2-propan-2-ylbuta-1,3-dien-1-one Traditional Name: carbon monoxide; iron; (3E)-2-isopropyl-4-phenyl-buta-1,3-dien-1-one Formula: C16H14FeO4 MolecularWeight: 326.12496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14O.3CO.Fe/c1-11(2)13(10-14)9-8-12-6-4-3-5-7-12;3*1-2;/h3-9,11H,1-2H3;;;;/b9-8+;;;;