3-sulfanyl-5-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 3-sulfanyl-5-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 3-sulfanyl-5-(trifluoromethylsulfonyl)benzoic acid CAS Name: 3-mercapto-5-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 3-sulfanyl-5-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 3-mercapto-5-triflyl-benzoic acid Formula: C8H5F3O4S2 MolecularWeight: 286.24811

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1S)S(=O)(=O)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1S)S(=O)(=O)C(F)(F)F)C(=O)O

InChI

InChI=1S/C8H5F3O4S2/c9-8(10,11)17(14,15)6-2-4(7(12)13)1-5(16)3-6/h1-3,16H,(H,12,13)