2-(3-methylsulfonylphenyl)sulfanylthiane-3,4,5-triol

Systemtic Name: 2-(3-methylsulfonylphenyl)sulfanylthiane-3,4,5-triol Openeye Name: 2-(3-methylsulfonylphenyl)sulfanyltetrahydrothiopyran-3,4,5-triol CAS Name: 2-[(3-methylsulfonylphenyl)thio]thiane-3,4,5-triol IUPAC Name: 2-(3-methylsulfonylphenyl)sulfanylthiane-3,4,5-triol Traditional Name: 2-[(3-mesylphenyl)thio]tetrahydrothiopyran-3,4,5-triol Formula: C12H16O5S3 MolecularWeight: 336.44744

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)SC2C(C(C(CS2)O)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)SC2C(C(C(CS2)O)O)O

InChI

InChI=1S/C12H16O5S3/c1-20(16,17)8-4-2-3-7(5-8)19-12-11(15)10(14)9(13)6-18-12/h2-5,9-15H,6H2,1H3