2-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid

Systemtic Name: 2-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid Openeye Name: 2-(p-tolylmethylsulfonyl)-5-(trifluoromethyl)benzoic acid CAS Name: 2-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid IUPAC Name: 2-[(4-methylphenyl)methylsulfonyl]-5-(trifluoromethyl)benzoic acid Traditional Name: 2-(4-methylbenzyl)sulfonyl-5-(trifluoromethyl)benzoic acid Formula: C16H13F3O4S MolecularWeight: 358.33223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3O4S/c1-10-2-4-11(5-3-10)9-24(22,23)14-7-6-12(16(17,18)19)8-13(14)15(20)21/h2-8H,9H2,1H3,(H,20,21)