carbon monoxide; iron; methyl (2E,4E)-5-(thian-2-yl)penta-2,4-dienoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4E)-5-(thian-2-yl)penta-2,4-dienoate Openeye Name: carbon monoxide; iron; methyl (2E,4E)-5-tetrahydrothiopyran-2-ylpenta-2,4-dienoate CAS Name: carbon monoxide; iron; (2E,4E)-5-(2-thianyl)penta-2,4-dienoic acid methyl ester IUPAC Name: carbon monoxide; iron; methyl (2E,4E)-5-(thian-2-yl)penta-2,4-dienoate Traditional Name: carbon monoxide; iron; (2E,4E)-5-tetrahydrothiopyran-2-ylpenta-2,4-dienoic acid methyl ester Formula: C14H16FeO5S MolecularWeight: 352.18384

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC=CC1CCCCS1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC(=O)/C=C/C=C/C1CCCCS1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C11H16O2S.3CO.Fe/c1-13-11(12)8-3-2-6-10-7-4-5-9-14-10;3*1-2;/h2-3,6,8,10H,4-5,7,9H2,1H3;;;;/b6-2+,8-3+;;;;