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

Systemtic Name: 3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 3-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 3-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C9H7F3O4S MolecularWeight: 268.20969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7F3O4S/c10-9(11,12)5-17(15,16)7-3-1-2-6(4-7)8(13)14/h1-4H,5H2,(H,13,14)