(3S,4S)-1-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-1-ium-3,4-diol; tris(fluoranyl)methanesulfonate

Systemtic Name: (3S,4S)-1-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-1-ium-3,4-diol; tris(fluoranyl)methanesulfonate Openeye Name: (3S,4S)-1-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-1-ium-3,4-diol; trifluoromethanesulfonate CAS Name: (3S,4S)-1-methyl-6-(methylthio)-3,4-dihydro-2H-thiopyran-1-ium-3,4-diol; trifluoromethanesulfonate IUPAC Name: (3S,4S)-1-methyl-6-methylsulfanyl-3,4-dihydro-2H-thiopyran-1-ium-3,4-diol; trifluoromethanesulfonate Traditional Name: (3S,4S)-1-methyl-6-(methylthio)-3,4-dihydro-2H-thiopyran-1-ium-3,4-diol triflate Formula: C8H13F3O5S3 MolecularWeight: 342.37603

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(C(C[S+]1C)O)O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CSC1=C[C@@H]([C@@H](C[S+]1C)O)O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C7H13O2S2.CHF3O3S/c1-10-7-3-5(8)6(9)4-11(7)2;2-1(3,4)8(5,6)7/h3,5-6,8-9H,4H2,1-2H3;(H,5,6,7)/q+1;/p-1/t5-,6+,11?;/m0./s1