carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]-2,3-dihydroinden-1-one

Systemtic Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]-2,3-dihydroinden-1-one Openeye Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]indan-1-one CAS Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]-2,3-dihydroinden-1-one IUPAC Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]-2,3-dihydroinden-1-one Traditional Name: carbon monoxide; iron; 2-[(1E)-3-methylbuta-1,3-dienyl]indan-1-one Formula: C17H14FeO4 MolecularWeight: 338.13566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C=CC1CC2=CC=CC=C2C1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC(=C)/C=C/C1CC2=CC=CC=C2C1=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C14H14O.3CO.Fe/c1-10(2)7-8-12-9-11-5-3-4-6-13(11)14(12)15;3*1-2;/h3-8,12H,1,9H2,2H3;;;;/b8-7+;;;;