(2S,3R)-4-methyl-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]pentane-1,3-diol

Systemtic Name: (2S,3R)-4-methyl-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]pentane-1,3-diol Openeye Name: (2S,3R)-4-methyl-2-[methylsulfanyl(p-tolylsulfonyl)methyl]pentane-1,3-diol CAS Name: (2S,3R)-4-methyl-2-[(4-methylphenyl)sulfonyl-(methylthio)methyl]pentane-1,3-diol IUPAC Name: (2S,3R)-4-methyl-2-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]pentane-1,3-diol Traditional Name: (2S,3R)-4-methyl-2-[(methylthio)-tosyl-methyl]pentane-1,3-diol Formula: C15H24O4S2 MolecularWeight: 332.47866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O4S2/c1-10(2)14(17)13(9-16)15(20-4)21(18,19)12-7-5-11(3)6-8-12/h5-8,10,13-17H,9H2,1-4H3/t13-,14+,15?/m0/s1