carbon monoxide; iron; (2E,4E)-1-(4-methylcyclohex-3-en-1-yl)-5-phenyl-penta-2,4-dien-1-one

Systemtic Name: carbon monoxide; iron; (2E,4E)-1-(4-methylcyclohex-3-en-1-yl)-5-phenyl-penta-2,4-dien-1-one Openeye Name: carbon monoxide; iron; (2E,4E)-1-(4-methylcyclohex-3-en-1-yl)-5-phenyl-penta-2,4-dien-1-one CAS Name: carbon monoxide; iron; (2E,4E)-1-(4-methyl-1-cyclohex-3-enyl)-5-phenyl-1-penta-2,4-dienone IUPAC Name: carbon monoxide; iron; (2E,4E)-1-(4-methylcyclohex-3-en-1-yl)-5-phenylpenta-2,4-dien-1-one Traditional Name: carbon monoxide; iron; (2E,4E)-1-(4-methylcyclohex-3-en-1-yl)-5-phenyl-penta-2,4-dien-1-one Formula: C21H20FeO4 MolecularWeight: 392.2261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(CC1)C(=O)C=CC=CC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=CCC(CC1)C(=O)/C=C/C=C/C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C18H20O.3CO.Fe/c1-15-11-13-17(14-12-15)18(19)10-6-5-9-16-7-3-2-4-8-16;3*1-2;/h2-11,17H,12-14H2,1H3;;;;/b9-5+,10-6+;;;;