carbon monoxide; iron; methyl 2-[5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]ethanoate

Systemtic Name: carbon monoxide; iron; methyl 2-[5-(phenylsulfonyl)cyclohexa-2,4-dien-1-yl]ethanoate Openeye Name: carbon monoxide; iron; methyl 2-[5-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]acetate CAS Name: 2-[5-(benzenesulfonyl)-1-cyclohexa-2,4-dienyl]acetic acid methyl ester; carbon monoxide; iron IUPAC Name: carbon monoxide; iron; methyl 2-[5-(benzenesulfonyl)cyclohexa-2,4-dien-1-yl]acetate Traditional Name: 2-(5-besylcyclohexa-2,4-dien-1-yl)acetic acid methyl ester; carbon monoxide; iron Formula: C18H16FeO7S MolecularWeight: 432.22544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

COC(=O)CC1CC(=CC=C1)S(=O)(=O)C2=CC=CC=C2.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C15H16O4S.3CO.Fe/c1-19-15(16)11-12-6-5-9-14(10-12)20(17,18)13-7-3-2-4-8-13;3*1-2;/h2-9,12H,10-11H2,1H3;;;;