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

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanyltetrahydrothiopyran-3,4,5-triol CAS Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thio]thiane-3,4,5-triol IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol Traditional Name: 2-[[3,5-bis(trifluoromethyl)phenyl]thio]tetrahydrothiopyran-3,4,5-triol Formula: C13H12F6O3S2 MolecularWeight: 394.352999

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O)O)O

Isomeric SMILES

C1C(C(C(C(S1)SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O)O)O

InChI

InChI=1S/C13H12F6O3S2/c14-12(15,16)5-1-6(13(17,18)19)3-7(2-5)24-11-10(22)9(21)8(20)4-23-11/h1-3,8-11,20-22H,4H2