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

Systemtic Name: 4-ethyl-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 4-ethyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 4-ethyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 4-ethyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 4-ethyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C11H11F3O4S MolecularWeight: 296.26285

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(F)(F)F

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC(F)(F)F

InChI

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