4-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid

Systemtic Name: 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid Openeye Name: 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid CAS Name: 4-[[3-(trifluoromethyl)phenyl]thio]butanoic acid IUPAC Name: 4-[3-(trifluoromethyl)phenyl]sulfanylbutanoic acid Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thio]butyric acid Formula: C11H11F3O2S MolecularWeight: 264.26405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11F3O2S/c12-11(13,14)8-3-1-4-9(7-8)17-6-2-5-10(15)16/h1,3-4,7H,2,5-6H2,(H,15,16)