1-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron

Systemtic Name: 1-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron Openeye Name: 1-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron CAS Name: 1-butyl-3-methylcyclobuta-1,3-diene; carbon monoxide; iron IUPAC Name: 1-butyl-3-methylcyclobuta-1,3-diene; carbon monoxide; iron Traditional Name: 1-butyl-3-methyl-cyclobuta-1,3-diene; carbon monoxide; iron Formula: C12H14FeO3 MolecularWeight: 262.08276

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CCCCC1=CC(=C1)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H14.3CO.Fe/c1-3-4-5-9-6-8(2)7-9;3*1-2;/h6-7H,3-5H2,1-2H3;;;;