(1S,2R)-1-methylsulfanyl-1-phenyl-hexan-2-ol

Systemtic Name: (1S,2R)-1-methylsulfanyl-1-phenyl-hexan-2-ol Openeye Name: (1S,2R)-1-methylsulfanyl-1-phenyl-hexan-2-ol CAS Name: (1S,2R)-1-(methylthio)-1-phenyl-2-hexanol IUPAC Name: (1S,2R)-1-methylsulfanyl-1-phenylhexan-2-ol Traditional Name: (1S,2R)-1-(methylthio)-1-phenyl-hexan-2-ol Formula: C13H20OS MolecularWeight: 224.3623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C1=CC=CC=C1)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H20OS/c1-3-4-10-12(14)13(15-2)11-8-6-5-7-9-11/h5-9,12-14H,3-4,10H2,1-2H3/t12-,13+/m1/s1