carbon monoxide; [(4-chlorophenyl)-ethoxy-methyl]cycloheptane; ethoxymethylideneiron; iron

Systemtic Name: carbon monoxide; [(4-chlorophenyl)-ethoxy-methyl]cycloheptane; ethoxymethylideneiron; iron Openeye Name: carbon monoxide; [(4-chlorophenyl)-ethoxy-methyl]cycloheptane; ethoxymethyleneiron; iron CAS Name: carbon monoxide; [(4-chlorophenyl)-ethoxymethyl]cycloheptane; ethoxymethylideneiron; iron IUPAC Name: carbon monoxide; [(4-chlorophenyl)-ethoxymethyl]cycloheptane; ethoxymethylideneiron; iron Traditional Name: carbon monoxide; [(4-chlorophenyl)-ethoxy-methyl]cycloheptane; ethoxymethyleneiron; iron Formula: C23H21ClFe2O6- MolecularWeight: 540.55224

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Descriptors Computed from Structure

Canonical SMILES:

CCO[C-]=[Fe].CCO[C]([C]1[CH]C[CH][CH][CH][CH]1)C2=CC=C(C=C2)Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCO[C-]=[Fe].CCO[C]([C]1[CH]C[CH][CH][CH][CH]1)C2=CC=C(C=C2)Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C16H16ClO.C3H5O.4CO.2Fe/c1-2-18-16(13-7-5-3-4-6-8-13)14-9-11-15(17)12-10-14;1-3-4-2;4*1-2;;/h3-5,7-12H,2,6H2,1H3;3H2,1H3;;;;;;/q;-1;;;;;;