carbon monoxide; iron; 4-methoxy-1-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1-carbonitrile

Systemtic Name: carbon monoxide; iron; 4-methoxy-1-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1-carbonitrile Openeye Name: carbon monoxide; iron; 4-methoxy-1-[(E)-styryl]cyclohexa-2,4-diene-1-carbonitrile CAS Name: carbon monoxide; iron; 4-methoxy-1-[(E)-2-phenylethenyl]-1-cyclohexa-2,4-dienecarbonitrile IUPAC Name: carbon monoxide; iron; 4-methoxy-1-[(E)-2-phenylethenyl]cyclohexa-2,4-diene-1-carbonitrile Traditional Name: carbon monoxide; iron; 4-methoxy-1-[(E)-styryl]cyclohexa-2,4-diene-1-carbonitrile Formula: C19H15FeNO4 MolecularWeight: 377.1717

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(C=C1)(C=CC2=CC=CC=C2)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC1=CCC(C=C1)(/C=C/C2=CC=CC=C2)C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C16H15NO.3CO.Fe/c1-18-15-8-11-16(13-17,12-9-15)10-7-14-5-3-2-4-6-14;3*1-2;/h2-11H,12H2,1H3;;;;/b10-7+;;;;