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

Systemtic Name: (3E)-2-tert-butyl-4-phenyl-buta-1,3-dien-1-one; carbon monoxide; iron Openeye Name: (3E)-2-tert-butyl-4-phenyl-buta-1,3-dien-1-one; carbon monoxide; iron CAS Name: (3E)-2-tert-butyl-4-phenyl-1-buta-1,3-dienone; carbon monoxide; iron IUPAC Name: (3E)-2-tert-butyl-4-phenylbuta-1,3-dien-1-one; carbon monoxide; iron Traditional Name: (3E)-2-tert-butyl-4-phenyl-buta-1,3-dien-1-one; carbon monoxide; iron Formula: C17H16FeO4 MolecularWeight: 340.15154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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