carbon monoxide; iron; methyl (3E)-2-(phenylmethyl)hexa-3,5-dienoate

Systemtic Name: carbon monoxide; iron; methyl (3E)-2-(phenylmethyl)hexa-3,5-dienoate Openeye Name: carbon monoxide; iron; methyl (3E)-2-benzylhexa-3,5-dienoate CAS Name: carbon monoxide; iron; (3E)-2-(phenylmethyl)hexa-3,5-dienoic acid methyl ester IUPAC Name: carbon monoxide; iron; methyl (3E)-2-benzylhexa-3,5-dienoate Traditional Name: (3E)-2-benzylhexa-3,5-dienoic acid methyl ester; carbon monoxide; iron Formula: C17H16FeO5 MolecularWeight: 356.15094

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)C=CC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)/C=C/C=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C14H16O2.3CO.Fe/c1-3-4-10-13(14(15)16-2)11-12-8-6-5-7-9-12;3*1-2;/h3-10,13H,1,11H2,2H3;;;;/b10-4+;;;;