2,4-dimethyl-5-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid

Systemtic Name: 2,4-dimethyl-5-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 2,4-dimethyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 2,4-dimethyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 2,4-dimethyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 2,4-dimethyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C11H11F3O4S MolecularWeight: 296.26285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(F)(F)F)C

InChI

InChI=1S/C11H11F3O4S/c1-6-3-7(2)9(4-8(6)10(15)16)19(17,18)5-11(12,13)14/h3-4H,5H2,1-2H3,(H,15,16)