carbon monoxide; 4,4-dimethyl-6-(phenylsulfonyl)cyclohexa-1,5-dien-1-ol; iron

Systemtic Name: carbon monoxide; 4,4-dimethyl-6-(phenylsulfonyl)cyclohexa-1,5-dien-1-ol; iron Openeye Name: 6-(benzenesulfonyl)-4,4-dimethyl-cyclohexa-1,5-dien-1-ol; carbon monoxide; iron CAS Name: 6-(benzenesulfonyl)-4,4-dimethyl-1-cyclohexa-1,5-dienol; carbon monoxide; iron IUPAC Name: 6-(benzenesulfonyl)-4,4-dimethylcyclohexa-1,5-dien-1-ol; carbon monoxide; iron Traditional Name: 6-besyl-4,4-dimethyl-cyclohexa-1,5-dien-1-ol; carbon monoxide; iron Formula: C17H16FeO6S MolecularWeight: 404.21534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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