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

Systemtic Name: 3-fluoranyl-4-methyl-5-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 3-fluoro-4-methyl-5-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C10H8F4O4S MolecularWeight: 300.226733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)CC(F)(F)F)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)CC(F)(F)F)C(=O)O)F

InChI

InChI=1S/C10H8F4O4S/c1-5-7(11)2-6(9(15)16)3-8(5)19(17,18)4-10(12,13)14/h2-3H,4H2,1H3,(H,15,16)