5-(4-methylphenyl)sulfonyl-5-methylsulfanyl-pentane-1,4-diol

Systemtic Name: 5-(4-methylphenyl)sulfonyl-5-methylsulfanyl-pentane-1,4-diol Openeye Name: 5-methylsulfanyl-5-(p-tolylsulfonyl)pentane-1,4-diol CAS Name: 5-(4-methylphenyl)sulfonyl-5-(methylthio)pentane-1,4-diol IUPAC Name: 5-(4-methylphenyl)sulfonyl-5-methylsulfanylpentane-1,4-diol Traditional Name: 5-(methylthio)-5-tosyl-pentane-1,4-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(CCCO)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C13H20O4S2/c1-10-5-7-11(8-6-10)19(16,17)13(18-2)12(15)4-3-9-14/h5-8,12-15H,3-4,9H2,1-2H3