2-[4-(phenylsulfonyl)phenyl]sulfanylthiane-3,4,5-triol

Systemtic Name: 2-[4-(phenylsulfonyl)phenyl]sulfanylthiane-3,4,5-triol Openeye Name: 2-[4-(benzenesulfonyl)phenyl]sulfanyltetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[4-(benzenesulfonyl)phenyl]thio]thiane-3,4,5-triol IUPAC Name: 2-[4-(benzenesulfonyl)phenyl]sulfanylthiane-3,4,5-triol Traditional Name: 2-[(4-besylphenyl)thio]tetrahydrothiopyran-3,4,5-triol Formula: C17H18O5S3 MolecularWeight: 398.51682

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C17H18O5S3/c18-14-10-23-17(16(20)15(14)19)24-11-6-8-13(9-7-11)25(21,22)12-4-2-1-3-5-12/h1-9,14-20H,10H2