3-[(4-methylphenyl)sulfonylmethyl]-3-methylsulfanyl-pentane-2,4-diol

Systemtic Name: 3-[(4-methylphenyl)sulfonylmethyl]-3-methylsulfanyl-pentane-2,4-diol Openeye Name: 3-methylsulfanyl-3-(p-tolylsulfonylmethyl)pentane-2,4-diol CAS Name: 3-[(4-methylphenyl)sulfonylmethyl]-3-(methylthio)pentane-2,4-diol IUPAC Name: 3-[(4-methylphenyl)sulfonylmethyl]-3-methylsulfanylpentane-2,4-diol Traditional Name: 3-(methylthio)-3-(tosylmethyl)pentane-2,4-diol Formula: C14H22O4S2 MolecularWeight: 318.45208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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