carbon monoxide; iron; 5-(2-phenylethynyl)cyclohexa-2,4-diene-1-carbonitrile

Systemtic Name: carbon monoxide; iron; 5-(2-phenylethynyl)cyclohexa-2,4-diene-1-carbonitrile Openeye Name: carbon monoxide; iron; 5-(2-phenylethynyl)cyclohexa-2,4-diene-1-carbonitrile CAS Name: carbon monoxide; iron; 5-(2-phenylethynyl)-1-cyclohexa-2,4-dienecarbonitrile IUPAC Name: carbon monoxide; iron; 5-(2-phenylethynyl)cyclohexa-2,4-diene-1-carbonitrile Traditional Name: carbon monoxide; iron; 5-(2-phenylethynyl)cyclohexa-2,4-diene-1-carbonitrile Formula: C18H11FeNO3 MolecularWeight: 345.12984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11N.3CO.Fe/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13;3*1-2;/h1-8,15H,11H2;;;;