(4-chlorophenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate

Systemtic Name: (4-chlorophenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate Openeye Name: (4-chlorophenyl) 5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonate CAS Name: 5-[5-(trifluoromethyl)-3-isoxazolyl]-2-thiophenesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonate Traditional Name: 5-[5-(trifluoromethyl)isoxazol-3-yl]thiophene-2-sulfonic acid (4-chlorophenyl) ester Formula: C14H7ClF3NO4S2 MolecularWeight: 409.78789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=CC=C1OS(=O)(=O)C2=CC=C(S2)C3=NOC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C14H7ClF3NO4S2/c15-8-1-3-9(4-2-8)23-25(20,21)13-6-5-11(24-13)10-7-12(22-19-10)14(16,17)18/h1-7H