3,4-dimethyl-5-[2,2,2-tris(fluoranyl)ethylsulfamoyl]benzoate

Systemtic Name: 3,4-dimethyl-5-[2,2,2-tris(fluoranyl)ethylsulfamoyl]benzoate Openeye Name: 3,4-dimethyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoate CAS Name: 3,4-dimethyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoate IUPAC Name: 3,4-dimethyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoate Traditional Name: 3,4-dimethyl-5-(2,2,2-trifluoroethylsulfamoyl)benzoate Formula: C11H11F3NO4S- MolecularWeight: 310.26955

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCC(F)(F)F)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)[O-])S(=O)(=O)NCC(F)(F)F)C

InChI

InChI=1S/C11H12F3NO4S/c1-6-3-8(10(16)17)4-9(7(6)2)20(18,19)15-5-11(12,13)14/h3-4,15H,5H2,1-2H3,(H,16,17)/p-1