(3R,4R,5S)-1,5-dimethylthian-1-ium-3,4-diol; tris(fluoranyl)methanesulfonate

Systemtic Name: (3R,4R,5S)-1,5-dimethylthian-1-ium-3,4-diol; tris(fluoranyl)methanesulfonate Openeye Name: (3R,4R,5S)-1,5-dimethyltetrahydrothiopyran-1-ium-3,4-diol; trifluoromethanesulfonate CAS Name: (3R,4R,5S)-1,5-dimethylthian-1-ium-3,4-diol; trifluoromethanesulfonate IUPAC Name: (3R,4R,5S)-1,5-dimethylthian-1-ium-3,4-diol; trifluoromethanesulfonate Traditional Name: (3R,4R,5S)-1,5-dimethyltetrahydrothiopyran-1-ium-3,4-diol triflate Formula: C8H15F3O5S2 MolecularWeight: 312.32691

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[S+](CC(C1O)O)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[C@@H]1C[S+](C[C@@H]([C@@H]1O)O)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H15O2S.CHF3O3S/c1-5-3-10(2)4-6(8)7(5)9;2-1(3,4)8(5,6)7/h5-9H,3-4H2,1-2H3;(H,5,6,7)/q+1;/p-1/t5-,6+,7-,10?;/m1./s1