carbon monoxide; [(E)-2-cyclohexylethenyl]benzene; iron

Systemtic Name: carbon monoxide; [(E)-2-cyclohexylethenyl]benzene; iron Openeye Name: carbon monoxide; [(E)-2-cyclohexylvinyl]benzene; iron CAS Name: carbon monoxide; [(E)-2-cyclohexylethenyl]benzene; iron IUPAC Name: carbon monoxide; [(E)-2-cyclohexylethenyl]benzene; iron Traditional Name: carbon monoxide; [(E)-2-cyclohexylvinyl]benzene; iron Formula: C17H14FeO3 MolecularWeight: 322.13626

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C[CH][C]([CH][CH]1)C=CC2=CC=CC=C2.[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C[CH][C]([CH][CH]1)/C=C/C2=CC=CC=C2.[Fe]

InChI

InChI=1S/C14H14.3CO.Fe/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3*1-2;/h1,3-5,7-12H,2,6H2;;;;/b12-11+;;;;