4-methyl-3-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonic acid

Systemtic Name: 4-methyl-3-[2,2,2-tris(fluoranyl)ethyl]benzenesulfonic acid Openeye Name: 4-methyl-3-(2,2,2-trifluoroethyl)benzenesulfonic acid CAS Name: 4-methyl-3-(2,2,2-trifluoroethyl)benzenesulfonic acid IUPAC Name: 4-methyl-3-(2,2,2-trifluoroethyl)benzenesulfonic acid Traditional Name: 4-methyl-3-(2,2,2-trifluoroethyl)besylic acid Formula: C9H9F3O3S MolecularWeight: 254.22617

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)O)CC(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)O)CC(F)(F)F

InChI

InChI=1S/C9H9F3O3S/c1-6-2-3-8(16(13,14)15)4-7(6)5-9(10,11)12/h2-4H,5H2,1H3,(H,13,14,15)