2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[3-(trifluoromethyl)phenyl]methylthio]acetic acid IUPAC Name: 2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[3-(trifluoromethyl)benzyl]thio]acetic acid Formula: C10H9F3O2S MolecularWeight: 250.23747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9F3O2S/c11-10(12,13)8-3-1-2-7(4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H,14,15)