methyl 4-chloranyl-4-(4-methylphenyl)sulfonyl-4-methylsulfanyl-butanoate

Systemtic Name: methyl 4-chloranyl-4-(4-methylphenyl)sulfonyl-4-methylsulfanyl-butanoate Openeye Name: methyl 4-chloro-4-methylsulfanyl-4-(p-tolylsulfonyl)butanoate CAS Name: 4-chloro-4-(4-methylphenyl)sulfonyl-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 4-chloro-4-(4-methylphenyl)sulfonyl-4-methylsulfanylbutanoate Traditional Name: 4-chloro-4-(methylthio)-4-tosyl-butyric acid methyl ester Formula: C13H17ClO4S2 MolecularWeight: 336.85468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)OC)(SC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)OC)(SC)Cl

InChI

InChI=1S/C13H17ClO4S2/c1-10-4-6-11(7-5-10)20(16,17)13(14,19-3)9-8-12(15)18-2/h4-7H,8-9H2,1-3H3