(1R,2S,3R,6R)-6-(hydroxymethyl)-4-phenylsulfanyl-cyclohex-4-ene-1,2,3-triol

Systemtic Name: (1R,2S,3R,6R)-6-(hydroxymethyl)-4-phenylsulfanyl-cyclohex-4-ene-1,2,3-triol Openeye Name: (1R,2S,3R,6R)-6-(hydroxymethyl)-4-phenylsulfanyl-cyclohex-4-ene-1,2,3-triol CAS Name: (1R,2S,3R,6R)-6-(hydroxymethyl)-4-(phenylthio)cyclohex-4-ene-1,2,3-triol IUPAC Name: (1R,2S,3R,6R)-6-(hydroxymethyl)-4-phenylsulfanylcyclohex-4-ene-1,2,3-triol Traditional Name: (1R,2S,3R,6R)-6-methylol-4-(phenylthio)cyclohex-4-ene-1,2,3-triol Formula: C13H16O4S MolecularWeight: 268.32874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC(C(C(C2O)O)O)CO

Isomeric SMILES

C1=CC=C(C=C1)SC2=C[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO

InChI

InChI=1S/C13H16O4S/c14-7-8-6-10(12(16)13(17)11(8)15)18-9-4-2-1-3-5-9/h1-6,8,11-17H,7H2/t8-,11-,12+,13+/m1/s1