3-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[4-(trifluoromethoxy)phenyl]methylthio]propanoic acid IUPAC Name: 3-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[4-(trifluoromethoxy)benzyl]thio]propionic acid Formula: C11H11F3O3S MolecularWeight: 280.26345

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCC(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CSCCC(=O)O)OC(F)(F)F

InChI

InChI=1S/C11H11F3O3S/c12-11(13,14)17-9-3-1-8(2-4-9)7-18-6-5-10(15)16/h1-4H,5-7H2,(H,15,16)