propan-2-yl 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanoate

Systemtic Name: propan-2-yl 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanoate Openeye Name: isopropyl 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetate CAS Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetate Traditional Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylacetic acid isopropyl ester Formula: C13H12F6O4S MolecularWeight: 378.287399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)CS(=O)(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C13H12F6O4S/c1-7(2)23-11(20)6-24(21,22)10-4-8(12(14,15)16)3-9(5-10)13(17,18)19/h3-5,7H,6H2,1-2H3