4-sulfanyl-3-(trifluoromethylsulfonyl)benzoic acid

Systemtic Name: 4-sulfanyl-3-(trifluoromethylsulfonyl)benzoic acid Openeye Name: 4-sulfanyl-3-(trifluoromethylsulfonyl)benzoic acid CAS Name: 4-mercapto-3-(trifluoromethylsulfonyl)benzoic acid IUPAC Name: 4-sulfanyl-3-(trifluoromethylsulfonyl)benzoic acid Traditional Name: 4-mercapto-3-triflyl-benzoic acid Formula: C8H5F3O4S2 MolecularWeight: 286.24811

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)C(F)(F)F)S

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)C(F)(F)F)S

InChI

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