5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

Systemtic Name: 5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Openeye Name: 5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]isoxazole-3-carboxylic acid CAS Name: 5-[[[4-(trifluoromethyl)phenyl]thio]methyl]-3-isoxazolecarboxylic acid IUPAC Name: 5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid Traditional Name: 5-[[[4-(trifluoromethyl)phenyl]thio]methyl]isoxazole-3-carboxylic acid Formula: C12H8F3NO3S MolecularWeight: 303.25703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(F)(F)F)SCC2=CC(=NO2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(F)(F)F)SCC2=CC(=NO2)C(=O)O

InChI

InChI=1S/C12H8F3NO3S/c13-12(14,15)7-1-3-9(4-2-7)20-6-8-5-10(11(17)18)16-19-8/h1-5H,6H2,(H,17,18)