(2S,3R)-3-tert-butylsulfanyl-3-(2,4,6-trimethylphenyl)propane-1,2-diol

Systemtic Name: (2S,3R)-3-tert-butylsulfanyl-3-(2,4,6-trimethylphenyl)propane-1,2-diol Openeye Name: (2S,3R)-3-tert-butylsulfanyl-3-(2,4,6-trimethylphenyl)propane-1,2-diol CAS Name: (2S,3R)-3-(tert-butylthio)-3-(2,4,6-trimethylphenyl)propane-1,2-diol IUPAC Name: (2S,3R)-3-tert-butylsulfanyl-3-(2,4,6-trimethylphenyl)propane-1,2-diol Traditional Name: (2S,3R)-3-(tert-butylthio)-3-mesityl-propane-1,2-diol Formula: C16H26O2S MolecularWeight: 282.44144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(C(CO)O)SC(C)(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)[C@H]([C@H](CO)O)SC(C)(C)C)C

InChI

InChI=1S/C16H26O2S/c1-10-7-11(2)14(12(3)8-10)15(13(18)9-17)19-16(4,5)6/h7-8,13,15,17-18H,9H2,1-6H3/t13-,15-/m0/s1