3-[(2-methylphenyl)methylsulfanyl]-5-(trifluoromethyloxy)benzoic acid

Systemtic Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(trifluoromethyloxy)benzoic acid Openeye Name: 3-(o-tolylmethylsulfanyl)-5-(trifluoromethoxy)benzoic acid CAS Name: 3-[(2-methylphenyl)methylthio]-5-(trifluoromethoxy)benzoic acid IUPAC Name: 3-[(2-methylphenyl)methylsulfanyl]-5-(trifluoromethoxy)benzoic acid Traditional Name: 3-[(2-methylbenzyl)thio]-5-(trifluoromethoxy)benzoic acid Formula: C16H13F3O3S MolecularWeight: 342.33283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=CC(=CC(=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CSC2=CC(=CC(=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C16H13F3O3S/c1-10-4-2-3-5-11(10)9-23-14-7-12(15(20)21)6-13(8-14)22-16(17,18)19/h2-8H,9H2,1H3,(H,20,21)