tert-butyl N-[(3E,5E)-2-oxidanylidenehepta-3,5-dienyl]carbamate; carbon monoxide; iron

Systemtic Name: tert-butyl N-[(3E,5E)-2-oxidanylidenehepta-3,5-dienyl]carbamate; carbon monoxide; iron Openeye Name: tert-butyl N-[(3E,5E)-2-oxohepta-3,5-dienyl]carbamate; carbon monoxide; iron CAS Name: carbon monoxide; iron; N-[(3E,5E)-2-oxohepta-3,5-dienyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3E,5E)-2-oxohepta-3,5-dienyl]carbamate; carbon monoxide; iron Traditional Name: carbon monoxide; iron; N-[(3E,5E)-2-ketohepta-3,5-dienyl]carbamic acid tert-butyl ester Formula: C15H19FeNO6 MolecularWeight: 365.15946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C=C/C=C/C(=O)CNC(=O)OC(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C12H19NO3.3CO.Fe/c1-5-6-7-8-10(14)9-13-11(15)16-12(2,3)4;3*1-2;/h5-8H,9H2,1-4H3,(H,13,15);;;;/b6-5+,8-7+;;;;