5-tert-butyl-2-methyl-6-oxidanyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid

Systemtic Name: 5-tert-butyl-2-methyl-6-oxidanyl-3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Openeye Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid CAS Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[[2-(trifluoromethyl)phenyl]methylthio]benzoic acid IUPAC Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid Traditional Name: 3-tert-butyl-2-hydroxy-6-methyl-5-[[2-(trifluoromethyl)benzyl]thio]benzoic acid Formula: C20H21F3O3S MolecularWeight: 398.43915

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C(=C1C(=O)O)O)C(C)(C)C)SCC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C20H21F3O3S/c1-11-15(9-14(19(2,3)4)17(24)16(11)18(25)26)27-10-12-7-5-6-8-13(12)20(21,22)23/h5-9,24H,10H2,1-4H3,(H,25,26)