carbon monoxide; 2,3-dimethylcyclohexane-1-carbonitrile; iron

Systemtic Name: carbon monoxide; 2,3-dimethylcyclohexane-1-carbonitrile; iron Openeye Name: carbon monoxide; 2,3-dimethylcyclohexanecarbonitrile; iron CAS Name: carbon monoxide; 2,3-dimethyl-1-cyclohexanecarbonitrile; iron IUPAC Name: carbon monoxide; 2,3-dimethylcyclohexane-1-carbonitrile; iron Traditional Name: carbon monoxide; 2,3-dimethylcyclohexanecarbonitrile; iron Formula: C12H11FeNO3 MolecularWeight: 273.06564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[C]1C(CC[CH][C]1[CH2])C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C[C]1C(CC[CH][C]1[CH2])C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H11N.3CO.Fe/c1-7-4-3-5-9(6-10)8(7)2;3*1-2;/h4,9H,1,3,5H2,2H3;;;;