(1S,2S,3S,6R)-2,6-dimethyl-5-(phenylsulfonyl)cyclohex-4-ene-1,3-diol

Systemtic Name: (1S,2S,3S,6R)-2,6-dimethyl-5-(phenylsulfonyl)cyclohex-4-ene-1,3-diol Openeye Name: (1S,2S,3S,6R)-5-(benzenesulfonyl)-2,6-dimethyl-cyclohex-4-ene-1,3-diol CAS Name: (1S,2S,3S,6R)-5-(benzenesulfonyl)-2,6-dimethylcyclohex-4-ene-1,3-diol IUPAC Name: (1S,2S,3S,6R)-5-(benzenesulfonyl)-2,6-dimethylcyclohex-4-ene-1,3-diol Traditional Name: (1S,2S,3S,6R)-5-besyl-2,6-dimethyl-cyclohex-4-ene-1,3-diol Formula: C14H18O4S MolecularWeight: 282.35532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=C(C(C1O)C)S(=O)(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@H]1[C@@H](C=C([C@@H]([C@H]1O)C)S(=O)(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C14H18O4S/c1-9-12(15)8-13(10(2)14(9)16)19(17,18)11-6-4-3-5-7-11/h3-10,12,14-16H,1-2H3/t9-,10-,12+,14-/m0/s1