(2S,3R,4S,5S)-2-(2-hydroxyethyl)-1-methyl-thian-1-ium-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S)-2-(2-hydroxyethyl)-1-methyl-thian-1-ium-3,4,5-triol Openeye Name: (2S,3R,4S,5S)-2-(2-hydroxyethyl)-1-methyl-tetrahydrothiopyran-1-ium-3,4,5-triol CAS Name: (2S,3R,4S,5S)-2-(2-hydroxyethyl)-1-methylthian-1-ium-3,4,5-triol IUPAC Name: (2S,3R,4S,5S)-2-(2-hydroxyethyl)-1-methylthian-1-ium-3,4,5-triol Traditional Name: (2S,3R,4S,5S)-2-(2-hydroxyethyl)-1-methyl-tetrahydrothiopyran-1-ium-3,4,5-triol Formula: C8H17O4S+ MolecularWeight: 209.28318

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Descriptors Computed from Structure

Canonical SMILES:

C[S+]1CC(C(C(C1CCO)O)O)O

Isomeric SMILES

C[S+]1C[C@H]([C@@H]([C@H]([C@@H]1CCO)O)O)O

InChI

InChI=1S/C8H17O4S/c1-13-4-5(10)7(11)8(12)6(13)2-3-9/h5-12H,2-4H2,1H3/q+1/t5-,6+,7+,8+,13?/m1/s1