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

Systemtic Name: 4-methyl-3-[2,2,2-tris(fluoranyl)ethylsulfonyl]benzoic acid Openeye Name: 4-methyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid CAS Name: 4-methyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid IUPAC Name: 4-methyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Traditional Name: 4-methyl-3-(2,2,2-trifluoroethylsulfonyl)benzoic acid Formula: C10H9F3O4S MolecularWeight: 282.23627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9F3O4S/c1-6-2-3-7(9(14)15)4-8(6)18(16,17)5-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)