methyl 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoate

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoate Openeye Name: methyl 3-[2-(p-tolylsulfonyl)ethylsulfanyl]benzoate CAS Name: 3-[2-(4-methylphenyl)sulfonylethylthio]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoate Traditional Name: 3-(2-tosylethylthio)benzoic acid methyl ester Formula: C17H18O4S2 MolecularWeight: 350.45242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C17H18O4S2/c1-13-6-8-16(9-7-13)23(19,20)11-10-22-15-5-3-4-14(12-15)17(18)21-2/h3-9,12H,10-11H2,1-2H3