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

Systemtic Name: 2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid Openeye Name: 2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid CAS Name: 2-[3-(trifluoromethylthio)phenyl]butanoic acid IUPAC Name: 2-[3-(trifluoromethylsulfanyl)phenyl]butanoic acid Traditional Name: 2-[3-(trifluoromethylthio)phenyl]butyric acid Formula: C11H11F3O2S MolecularWeight: 264.26405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3O2S/c1-2-9(10(15)16)7-4-3-5-8(6-7)17-11(12,13)14/h3-6,9H,2H2,1H3,(H,15,16)