5-[3-(trifluoromethyl)phenyl]sulfanylfuran-3-carboxylic acid

Systemtic Name: 5-[3-(trifluoromethyl)phenyl]sulfanylfuran-3-carboxylic acid Openeye Name: 5-[3-(trifluoromethyl)phenyl]sulfanylfuran-3-carboxylic acid CAS Name: 5-[[3-(trifluoromethyl)phenyl]thio]-3-furancarboxylic acid IUPAC Name: 5-[3-(trifluoromethyl)phenyl]sulfanylfuran-3-carboxylic acid Traditional Name: 5-[[3-(trifluoromethyl)phenyl]thio]-3-furoic acid Formula: C12H7F3O3S MolecularWeight: 288.24239

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SC2=CC(=CO2)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)SC2=CC(=CO2)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H7F3O3S/c13-12(14,15)8-2-1-3-9(5-8)19-10-4-7(6-18-10)11(16)17/h1-6H,(H,16,17)