3-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid

Systemtic Name: 3-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid Openeye Name: 3-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid CAS Name: 3-[[3-(trifluoromethyl)phenyl]thio]butanoic acid IUPAC Name: 3-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid Traditional Name: 3-[[3-(trifluoromethyl)phenyl]thio]butyric acid Formula: C11H11F3O2S MolecularWeight: 264.26405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3O2S/c1-7(5-10(15)16)17-9-4-2-3-8(6-9)11(12,13)14/h2-4,6-7H,5H2,1H3,(H,15,16)