3-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethyloxy)benzoic acid

Systemtic Name: 3-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethyloxy)benzoic acid Openeye Name: 3-(p-tolylmethylsulfonyl)-5-(trifluoromethoxy)benzoic acid CAS Name: 3-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethoxy)benzoic acid IUPAC Name: 3-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethoxy)benzoic acid Traditional Name: 3-(4-methylbenzyl)sulfonyl-5-(trifluoromethoxy)benzoic acid Formula: C16H13F3O5S MolecularWeight: 374.33163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)C2=CC(=CC(=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C16H13F3O5S/c1-10-2-4-11(5-3-10)9-25(22,23)14-7-12(15(20)21)6-13(8-14)24-16(17,18)19/h2-8H,9H2,1H3,(H,20,21)