(1S,2S)-2-methyl-1-[1-(phenylmethylsulfanyl)cyclohexyl]propane-1,3-diol

Systemtic Name: (1S,2S)-2-methyl-1-[1-(phenylmethylsulfanyl)cyclohexyl]propane-1,3-diol Openeye Name: (1S,2S)-1-(1-benzylsulfanylcyclohexyl)-2-methyl-propane-1,3-diol CAS Name: (1S,2S)-2-methyl-1-[1-(phenylmethylthio)cyclohexyl]propane-1,3-diol IUPAC Name: (1S,2S)-1-(1-benzylsulfanylcyclohexyl)-2-methylpropane-1,3-diol Traditional Name: (1S,2S)-1-[1-(benzylthio)cyclohexyl]-2-methyl-propane-1,3-diol Formula: C17H26O2S MolecularWeight: 294.45214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)C(C1(CCCCC1)SCC2=CC=CC=C2)O

Isomeric SMILES

C[C@@H](CO)[C@@H](C1(CCCCC1)SCC2=CC=CC=C2)O

InChI

InChI=1S/C17H26O2S/c1-14(12-18)16(19)17(10-6-3-7-11-17)20-13-15-8-4-2-5-9-15/h2,4-5,8-9,14,16,18-19H,3,6-7,10-13H2,1H3/t14-,16-/m0/s1