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

Systemtic Name: (2S,3R)-2-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]pentane-1,3-diol Openeye Name: (2S,3R)-2-[methylsulfanyl(p-tolylsulfonyl)methyl]pentane-1,3-diol CAS Name: (2S,3R)-2-[(4-methylphenyl)sulfonyl-(methylthio)methyl]pentane-1,3-diol IUPAC Name: (2S,3R)-2-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]pentane-1,3-diol Traditional Name: (2S,3R)-2-[(methylthio)-tosyl-methyl]pentane-1,3-diol Formula: C14H22O4S2 MolecularWeight: 318.45208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O4S2/c1-4-13(16)12(9-15)14(19-3)20(17,18)11-7-5-10(2)6-8-11/h5-8,12-16H,4,9H2,1-3H3/t12-,13+,14?/m0/s1