carbon monoxide; iron; (5E)-2-methoxy-5-(1-phenylpropan-2-ylidene)cyclohexa-1,3-diene

Systemtic Name: carbon monoxide; iron; (5E)-2-methoxy-5-(1-phenylpropan-2-ylidene)cyclohexa-1,3-diene Openeye Name: carbon monoxide; iron; (5E)-2-methoxy-5-(1-methyl-2-phenyl-ethylidene)cyclohexa-1,3-diene CAS Name: carbon monoxide; iron; (5E)-2-methoxy-5-(1-phenylpropan-2-ylidene)cyclohexa-1,3-diene IUPAC Name: carbon monoxide; iron; (5E)-2-methoxy-5-(1-phenylpropan-2-ylidene)cyclohexa-1,3-diene Traditional Name: carbon monoxide; iron; (5E)-2-methoxy-5-(1-methyl-2-phenyl-ethylidene)cyclohexa-1,3-diene Formula: C19H18FeO4 MolecularWeight: 366.18882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=C\1/CC=C(C=C1)OC)/CC2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C16H18O.3CO.Fe/c1-13(12-14-6-4-3-5-7-14)15-8-10-16(17-2)11-9-15;3*1-2;/h3-8,10-11H,9,12H2,1-2H3;;;;/b15-13-;;;;