(2S,3S,4R)-2-methyl-4-phenylsulfanyl-hexane-1,3-diol

Systemtic Name: (2S,3S,4R)-2-methyl-4-phenylsulfanyl-hexane-1,3-diol Openeye Name: (2S,3S,4R)-2-methyl-4-phenylsulfanyl-hexane-1,3-diol CAS Name: (2S,3S,4R)-2-methyl-4-(phenylthio)hexane-1,3-diol IUPAC Name: (2S,3S,4R)-2-methyl-4-phenylsulfanylhexane-1,3-diol Traditional Name: (2S,3S,4R)-2-methyl-4-(phenylthio)hexane-1,3-diol Formula: C13H20O2S MolecularWeight: 240.3617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O2S/c1-3-12(13(15)10(2)9-14)16-11-7-5-4-6-8-11/h4-8,10,12-15H,3,9H2,1-2H3/t10-,12+,13-/m0/s1