3-chloranyl-4-(trifluoromethylsulfonyloxy)benzoic acid

Systemtic Name: 3-chloranyl-4-(trifluoromethylsulfonyloxy)benzoic acid Openeye Name: 3-chloro-4-(trifluoromethylsulfonyloxy)benzoic acid CAS Name: 3-chloro-4-(trifluoromethylsulfonyloxy)benzoic acid IUPAC Name: 3-chloro-4-(trifluoromethylsulfonyloxy)benzoic acid Traditional Name: 3-chloro-4-triflyloxy-benzoic acid Formula: C8H4ClF3O5S MolecularWeight: 304.62757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)Cl)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)Cl)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C8H4ClF3O5S/c9-5-3-4(7(13)14)1-2-6(5)17-18(15,16)8(10,11)12/h1-3H,(H,13,14)