carbon monoxide; iron; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one

Systemtic Name: carbon monoxide; iron; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Openeye Name: carbon monoxide; iron; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one CAS Name: carbon monoxide; iron; (E)-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one IUPAC Name: carbon monoxide; iron; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Traditional Name: carbon monoxide; iron; (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one Formula: C16H20FeO4 MolecularWeight: 332.1726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)C=CC(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=O)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C13H20O.3CO.Fe/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14;3*1-2;/h7-8H,5-6,9H2,1-4H3;;;;/b8-7+;;;;