5-ethylsulfonyl-2-[1,1,1-tris(fluoranyl)propan-2-yloxy]benzoic acid

Systemtic Name: 5-ethylsulfonyl-2-[1,1,1-tris(fluoranyl)propan-2-yloxy]benzoic acid Openeye Name: 5-ethylsulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)benzoic acid CAS Name: 5-ethylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid IUPAC Name: 5-ethylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)benzoic acid Traditional Name: 5-esyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)benzoic acid Formula: C12H13F3O5S MolecularWeight: 326.28883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3O5S/c1-3-21(18,19)8-4-5-10(9(6-8)11(16)17)20-7(2)12(13,14)15/h4-7H,3H2,1-2H3,(H,16,17)