2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoic acid CAS Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]thio]propanoic acid IUPAC Name: 2-methyl-3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-methyl-3-[[3-(trifluoromethyl)phenyl]thio]propionic acid Formula: C11H11F3O2S MolecularWeight: 264.26405

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC(=C1)C(F)(F)F)C(=O)O

InChI

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