4-bromanyl-6-methyl-pyran-2-one; carbon monoxide; iron

Systemtic Name: 4-bromanyl-6-methyl-pyran-2-one; carbon monoxide; iron Openeye Name: 4-bromo-6-methyl-pyran-2-one; carbon monoxide; iron CAS Name: 4-bromo-6-methyl-2-pyranone; carbon monoxide; iron IUPAC Name: 4-bromo-6-methylpyran-2-one; carbon monoxide; iron Traditional Name: 4-bromo-6-methyl-pyran-2-one; carbon monoxide; iron Formula: C9H5BrFeO5 MolecularWeight: 328.882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)Br.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=CC(=CC(=O)O1)Br.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C6H5BrO2.3CO.Fe/c1-4-2-5(7)3-6(8)9-4;3*1-2;/h2-3H,1H3;;;;