[(1R,2S)-1,3-bis(oxidanyl)-1-(thian-1-ium-1-yl)propan-2-yl] sulfate

Systemtic Name: [(1R,2S)-1,3-bis(oxidanyl)-1-(thian-1-ium-1-yl)propan-2-yl] sulfate Openeye Name: [(1S,2R)-2-hydroxy-1-(hydroxymethyl)-2-tetrahydrothiopyran-1-ium-1-yl-ethyl] sulfate CAS Name: [(1R,2S)-1,3-dihydroxy-1-(1-thian-1-iumyl)propan-2-yl] sulfate IUPAC Name: [(1R,2S)-1,3-dihydroxy-1-(thian-1-ium-1-yl)propan-2-yl] sulfate Traditional Name: [(1S,2R)-2-hydroxy-1-methylol-2-tetrahydrothiopyran-1-ium-1-yl-ethyl] sulfate Formula: C8H16O6S2 MolecularWeight: 272.33904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[S+](CC1)C(C(CO)OS(=O)(=O)[O-])O

Isomeric SMILES

C1CC[S+](CC1)[C@H]([C@H](CO)OS(=O)(=O)[O-])O

InChI

InChI=1S/C8H16O6S2/c9-6-7(14-16(11,12)13)8(10)15-4-2-1-3-5-15/h7-10H,1-6H2/t7-,8+/m0/s1