carbon monoxide; [(3Z)-hexa-3,5-dienyl] butanoate; iron

Systemtic Name: carbon monoxide; [(3Z)-hexa-3,5-dienyl] butanoate; iron Openeye Name: carbon monoxide; [(3Z)-hexa-3,5-dienyl] butanoate; iron CAS Name: butanoic acid [(3Z)-hexa-3,5-dienyl] ester; carbon monoxide; iron IUPAC Name: carbon monoxide; [(3Z)-hexa-3,5-dienyl] butanoate; iron Traditional Name: butyric acid [(3Z)-hexa-3,5-dienyl] ester; carbon monoxide; iron Formula: C13H16FeO5 MolecularWeight: 308.10814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(=O)OCC/C=C\C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C10H16O2.3CO.Fe/c1-3-5-6-7-9-12-10(11)8-4-2;3*1-2;/h3,5-6H,1,4,7-9H2,2H3;;;;/b6-5-;;;;