methyl 2-(phenylsulfonylmethylsulfanyl)-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 2-(phenylsulfonylmethylsulfanyl)-5-(trifluoromethyl)benzoate Openeye Name: methyl 2-(benzenesulfonylmethylsulfanyl)-5-(trifluoromethyl)benzoate CAS Name: 2-(benzenesulfonylmethylthio)-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonylmethylsulfanyl)-5-(trifluoromethyl)benzoate Traditional Name: 2-(besylmethylthio)-5-(trifluoromethyl)benzoic acid methyl ester Formula: C16H13F3O4S2 MolecularWeight: 390.39723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)C(F)(F)F)SCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)C(F)(F)F)SCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H13F3O4S2/c1-23-15(20)13-9-11(16(17,18)19)7-8-14(13)24-10-25(21,22)12-5-3-2-4-6-12/h2-9H,10H2,1H3