(4-methylsulfonylphenyl)-[3,4,5-tris(oxidanyl)-2-phenylsulfanyl-thian-2-yl]methanone

Systemtic Name: (4-methylsulfonylphenyl)-[3,4,5-tris(oxidanyl)-2-phenylsulfanyl-thian-2-yl]methanone Openeye Name: (4-methylsulfonylphenyl)-(3,4,5-trihydroxy-2-phenylsulfanyl-tetrahydrothiopyran-2-yl)methanone CAS Name: (4-methylsulfonylphenyl)-[3,4,5-trihydroxy-2-(phenylthio)-2-thianyl]methanone IUPAC Name: (4-methylsulfonylphenyl)-(3,4,5-trihydroxy-2-phenylsulfanylthian-2-yl)methanone Traditional Name: (4-mesylphenyl)-[3,4,5-trihydroxy-2-(phenylthio)tetrahydrothiopyran-2-yl]methanone Formula: C19H20O6S3 MolecularWeight: 440.5535

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2(C(C(C(CS2)O)O)O)SC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2(C(C(C(CS2)O)O)O)SC3=CC=CC=C3

InChI

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