(2S,3R,4S,5S)-2-(1-benzothiophen-3-yl)thiane-3,4,5-triol

Systemtic Name: (2S,3R,4S,5S)-2-(1-benzothiophen-3-yl)thiane-3,4,5-triol Openeye Name: (2S,3R,4S,5S)-2-(benzothiophen-3-yl)tetrahydrothiopyran-3,4,5-triol CAS Name: (2S,3R,4S,5S)-2-(1-benzothiophen-3-yl)thiane-3,4,5-triol IUPAC Name: (2S,3R,4S,5S)-2-(1-benzothiophen-3-yl)thiane-3,4,5-triol Traditional Name: (2S,3R,4S,5S)-2-(benzothiophen-3-yl)tetrahydrothiopyran-3,4,5-triol Formula: C13H14O3S2 MolecularWeight: 282.37846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(S1)C2=CSC3=CC=CC=C32)O)O)O

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H](S1)C2=CSC3=CC=CC=C32)O)O)O

InChI

InChI=1S/C13H14O3S2/c14-9-6-18-13(12(16)11(9)15)8-5-17-10-4-2-1-3-7(8)10/h1-5,9,11-16H,6H2/t9-,11+,12-,13+/m1/s1