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

Systemtic Name: (2S,3R)-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]butane-1,3-diol Openeye Name: (2S,3R)-2-[methylsulfanyl(p-tolylsulfonyl)methyl]butane-1,3-diol CAS Name: (2S,3R)-2-[(4-methylphenyl)sulfonyl-(methylthio)methyl]butane-1,3-diol IUPAC Name: (2S,3R)-2-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]butane-1,3-diol Traditional Name: (2S,3R)-2-[(methylthio)-tosyl-methyl]butane-1,3-diol Formula: C13H20O4S2 MolecularWeight: 304.4255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S2/c1-9-4-6-11(7-5-9)19(16,17)13(18-3)12(8-14)10(2)15/h4-7,10,12-15H,8H2,1-3H3/t10-,12+,13?/m1/s1