carbon monoxide; 2-cyclohexylethynylbenzene; iron

Systemtic Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron Openeye Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron CAS Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron IUPAC Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron Traditional Name: carbon monoxide; 2-cyclohexylethynylbenzene; iron Formula: C17H12FeO3 MolecularWeight: 320.12038

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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#CC2=CC=CC=C2.[Fe]

InChI

InChI=1S/C14H12.3CO.Fe/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3*1-2;/h1,3-5,7-10H,2,6H2;;;;