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

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

Systemtic Name:2-[2-(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol
Openeye Name:2-[2-(trifluoromethyl)phenyl]sulfanyltetrahydrothiopyran-3,4,5-triol
CAS Name:2-[[2-(trifluoromethyl)phenyl]thio]thiane-3,4,5-triol
IUPAC Name:2-[2-(trifluoromethyl)phenyl]sulfanylthiane-3,4,5-triol
Traditional Name:2-[[2-(trifluoromethyl)phenyl]thio]tetrahydrothiopyran-3,4,5-triol
Formula: C12H13F3O3S2
MolecularWeight: 326.35503
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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)SC2=CC=CC=C2C(F)(F)F)O)O)O


Isomeric SMILES

C1C(C(C(C(S1)SC2=CC=CC=C2C(F)(F)F)O)O)O


InChI

InChI=1S/C12H13F3O3S2/c13-12(14,15)6-3-1-2-4-8(6)20-11-10(18)9(17)7(16)5-19-11/h1-4,7,9-11,16-18H,5H2


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