carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzenesulfonate; iron

Systemtic Name: carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzenesulfonate; iron Openeye Name: carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzenesulfonate; iron CAS Name: benzenesulfonic acid (4,4-dimethyl-1-cyclohexa-1,5-dienyl) ester; carbon monoxide; iron IUPAC Name: carbon monoxide; (4,4-dimethylcyclohexa-1,5-dien-1-yl) benzenesulfonate; iron Traditional Name: benzenesulfonic acid (4,4-dimethylcyclohexa-1,5-dien-1-yl) ester; carbon monoxide; iron Formula: C17H16FeO6S MolecularWeight: 404.21534

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1(CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C14H16O3S.3CO.Fe/c1-14(2)10-8-12(9-11-14)17-18(15,16)13-6-4-3-5-7-13;3*1-2;/h3-10H,11H2,1-2H3;;;;