carbon monoxide; iron; (3Z)-2-methylpenta-1,3-diene

Systemtic Name: carbon monoxide; iron; (3Z)-2-methylpenta-1,3-diene Openeye Name: carbon monoxide; iron; (3Z)-2-methylpenta-1,3-diene CAS Name: carbon monoxide; iron; (3Z)-2-methylpenta-1,3-diene IUPAC Name: carbon monoxide; iron; (3Z)-2-methylpenta-1,3-diene Traditional Name: carbon monoxide; iron; (3Z)-2-methylpenta-1,3-diene Formula: C9H9FeO3+ MolecularWeight: 221.01096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9.3CO.Fe/c1-4-5-6(2)3;3*1-2;/h4-5H,1-2H2,3H3;;;;/q+1;;;;/b5-4-;;;;