carbon monoxide; iron; methyl (2E,4E)-6-oxidanyl-10-sulfanyl-deca-2,4-dienoate

Systemtic Name: carbon monoxide; iron; methyl (2E,4E)-6-oxidanyl-10-sulfanyl-deca-2,4-dienoate Openeye Name: carbon monoxide; iron; methyl (2E,4E)-6-hydroxy-10-sulfanyl-deca-2,4-dienoate CAS Name: carbon monoxide; (2E,4E)-6-hydroxy-10-mercaptodeca-2,4-dienoic acid methyl ester; iron IUPAC Name: carbon monoxide; iron; methyl (2E,4E)-6-hydroxy-10-sulfanyldeca-2,4-dienoate Traditional Name: carbon monoxide; (2E,4E)-6-hydroxy-10-mercapto-deca-2,4-dienoic acid methyl ester; iron Formula: C14H18FeO6S MolecularWeight: 370.19912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18O3S.3CO.Fe/c1-14-11(13)8-3-2-6-10(12)7-4-5-9-15;3*1-2;/h2-3,6,8,10,12,15H,4-5,7,9H2,1H3;;;;/b6-2+,8-3+;;;;