carbon monoxide; iron; (E)-3-phenylprop-2-enal

Systemtic Name: carbon monoxide; iron; (E)-3-phenylprop-2-enal Openeye Name: carbon monoxide; iron; (E)-3-phenylprop-2-enal CAS Name: carbon monoxide; iron; (E)-3-phenyl-2-propenal IUPAC Name: carbon monoxide; iron; (E)-3-phenylprop-2-enal Traditional Name: carbon monoxide; iron; (E)-3-phenylacrolein Formula: C12H8FeO4 MolecularWeight: 272.03452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C=CC=O.[Fe]

Isomeric SMILES

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)/C=C/C=O.[Fe]

InChI

InChI=1S/C9H8O.3CO.Fe/c10-8-4-7-9-5-2-1-3-6-9;3*1-2;/h1-8H;;;;/b7-4+;;;;