carbon monoxide; iron(2+); 2-(2-phenylethynyl)cyclohexane-1-carbonitrile

Systemtic Name: carbon monoxide; iron(2+); 2-(2-phenylethynyl)cyclohexane-1-carbonitrile Openeye Name: ferrous; carbon monoxide; 2-(2-phenylethynyl)cyclohexanecarbonitrile CAS Name: carbon monoxide; iron(2+); 2-(2-phenylethynyl)-1-cyclohexanecarbonitrile IUPAC Name: carbon monoxide; iron(2+); 2-(2-phenylethynyl)cyclohexane-1-carbonitrile Traditional Name: ferrous; carbon monoxide; 2-(2-phenylethynyl)cyclohexanecarbonitrile Formula: C18H14FeNO3+ MolecularWeight: 348.15366

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC[C-](C(C1)C#N)C#CC2=CC=CC=C2.[Fe+2]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC[C-](C(C1)C#N)C#CC2=CC=CC=C2.[Fe+2]

InChI

InChI=1S/C15H14N.3CO.Fe/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13;3*1-2;/h1-3,6-7,15H,4-5,8-9H2;;;;/q-1;;;;+2