3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid

Systemtic Name: 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid Openeye Name: 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid CAS Name: 3-methyl-2-[3-(trifluoromethylthio)phenyl]butanoic acid IUPAC Name: 3-methyl-2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid Traditional Name: 3-methyl-2-[3-(trifluoromethylthio)phenyl]butyric acid Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC(=CC=C1)SC(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)C(C1=CC(=CC=C1)SC(F)(F)F)C(=O)O

InChI

InChI=1S/C12H13F3O2S/c1-7(2)10(11(16)17)8-4-3-5-9(6-8)18-12(13,14)15/h3-7,10H,1-2H3,(H,16,17)