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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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