3-[4-(4-methylsulfonylphenyl)carbonylphenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate

Systemtic Name: 3-[4-(4-methylsulfonylphenyl)carbonylphenoxy]-4,5-bis(oxidanyl)thiane-2-thiolate Openeye Name: 4,5-dihydroxy-3-[4-(4-methylsulfonylbenzoyl)phenoxy]tetrahydrothiopyran-2-thiolate CAS Name: 4,5-dihydroxy-3-[4-[(4-methylsulfonylphenyl)-oxomethyl]phenoxy]-2-thianethiolate IUPAC Name: 4,5-dihydroxy-3-[4-(4-methylsulfonylbenzoyl)phenoxy]thiane-2-thiolate Traditional Name: 4,5-dihydroxy-3-[4-(4-mesylbenzoyl)phenoxy]tetrahydrothiopyran-2-thiolate Formula: C19H19O6S3- MolecularWeight: 439.54556

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3C(C(CSC3[S-])O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3C(C(CSC3[S-])O)O

InChI

InChI=1S/C19H20O6S3/c1-28(23,24)14-8-4-12(5-9-14)16(21)11-2-6-13(7-3-11)25-18-17(22)15(20)10-27-19(18)26/h2-9,15,17-20,22,26H,10H2,1H3/p-1