5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 5-methyl-2-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 5-methyl-2-triflyloxy-benzoic acid Formula: C9H7F3O5S MolecularWeight: 284.20909

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7F3O5S/c1-5-2-3-7(6(4-5)8(13)14)17-18(15,16)9(10,11)12/h2-4H,1H3,(H,13,14)