(3E,5E)-1-bromanylhepta-3,5-dien-2-one; carbon monoxide; iron

Systemtic Name: (3E,5E)-1-bromanylhepta-3,5-dien-2-one; carbon monoxide; iron Openeye Name: (3E,5E)-1-bromohepta-3,5-dien-2-one; carbon monoxide; iron CAS Name: (3E,5E)-1-bromo-2-hepta-3,5-dienone; carbon monoxide; iron IUPAC Name: (3E,5E)-1-bromohepta-3,5-dien-2-one; carbon monoxide; iron Traditional Name: (3E,5E)-1-bromohepta-3,5-dien-2-one; carbon monoxide; iron Formula: C10H9BrFeO4 MolecularWeight: 328.92506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9BrO.3CO.Fe/c1-2-3-4-5-7(9)6-8;3*1-2;/h2-5H,6H2,1H3;;;;/b3-2+,5-4+;;;;