(2S,3S,4S)-2,5-dimethyl-4-phenylsulfanyl-hexane-1,3-diol

Systemtic Name: (2S,3S,4S)-2,5-dimethyl-4-phenylsulfanyl-hexane-1,3-diol Openeye Name: (2S,3S,4S)-2,5-dimethyl-4-phenylsulfanyl-hexane-1,3-diol CAS Name: (2S,3S,4S)-2,5-dimethyl-4-(phenylthio)hexane-1,3-diol IUPAC Name: (2S,3S,4S)-2,5-dimethyl-4-phenylsulfanylhexane-1,3-diol Traditional Name: (2S,3S,4S)-2,5-dimethyl-4-(phenylthio)hexane-1,3-diol Formula: C14H22O2S MolecularWeight: 254.38828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C)CO)O)SC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CO)[C@@H]([C@H](C(C)C)SC1=CC=CC=C1)O

InChI

InChI=1S/C14H22O2S/c1-10(2)14(13(16)11(3)9-15)17-12-7-5-4-6-8-12/h4-8,10-11,13-16H,9H2,1-3H3/t11-,13-,14-/m0/s1