3-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-butanoic acid Openeye Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfanyl-butanoic acid CAS Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]thio]butanoic acid IUPAC Name: 3-methyl-2-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid Traditional Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]thio]butyric acid Formula: C12H13F3O2S MolecularWeight: 278.29063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC=CC(=C1)C(F)(F)F

InChI

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