carbon monoxide; iron; 7-methyloct-1-en-3-one

Systemtic Name: carbon monoxide; iron; 7-methyloct-1-en-3-one Openeye Name: carbon monoxide; iron; 7-methyloct-1-en-3-one CAS Name: carbon monoxide; iron; 7-methyl-1-octen-3-one IUPAC Name: carbon monoxide; iron; 7-methyloct-1-en-3-one Traditional Name: carbon monoxide; iron; 7-methyloct-1-en-3-one Formula: C12H12FeO4 MolecularWeight: 276.06628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC[CH][C]([CH2])[CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C=CC(=O)CC[CH][C]([CH2])[CH2].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H12O.3CO.Fe/c1-4-9(10)7-5-6-8(2)3;3*1-2;/h4,6H,1-3,5,7H2;;;;