3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoic acid

Systemtic Name: 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoic acid Openeye Name: 3-[2-(p-tolylsulfonyl)ethylsulfanyl]benzoic acid CAS Name: 3-[2-(4-methylphenyl)sulfonylethylthio]benzoic acid IUPAC Name: 3-[2-(4-methylphenyl)sulfonylethylsulfanyl]benzoic acid Traditional Name: 3-(2-tosylethylthio)benzoic acid Formula: C16H16O4S2 MolecularWeight: 336.42584

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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)