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

Systemtic Name: 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoate Openeye Name: 3-[2-(p-tolylsulfonyl)ethylsulfanyl]benzoate CAS Name: 3-[2-(4-methylphenyl)sulfonylethylthio]benzoate IUPAC Name: 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoate Traditional Name: 3-(2-tosylethylthio)benzoate Formula: C16H15O4S2- MolecularWeight: 335.4179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCSC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C16H16O4S2/c1-12-5-7-15(8-6-12)22(19,20)10-9-21-14-4-2-3-13(11-14)16(17)18/h2-8,11H,9-10H2,1H3,(H,17,18)/p-1