3-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid

Systemtic Name: 3-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid Openeye Name: 3-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid CAS Name: 3-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid IUPAC Name: 3-methyl-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]benzoic acid Traditional Name: 3-methyl-5-[3-(trifluoromethyl)benzyl]sulfonyl-benzoic acid Formula: C16H13F3O4S MolecularWeight: 358.33223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

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