5-[[2-(trifluoromethyloxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[[2-(trifluoromethyloxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[[2-(trifluoromethoxy)phenyl]thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[[2-(trifluoromethoxy)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[[[2-(trifluoromethoxy)phenyl]thio]methyl]isoxazole-3-carboxylic acid Formula: C12H8F3NO4S MolecularWeight: 319.25643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC(F)(F)F)SCC2=CC(=NO2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)OC(F)(F)F)SCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C12H8F3NO4S/c13-12(14,15)19-9-3-1-2-4-10(9)21-6-7-5-8(11(17)18)16-20-7/h1-5H,6H2,(H,17,18)