4-sulfanyl-3-(trifluoromethyl)benzoic acid

Systemtic Name: 4-sulfanyl-3-(trifluoromethyl)benzoic acid Openeye Name: 4-sulfanyl-3-(trifluoromethyl)benzoic acid CAS Name: 4-mercapto-3-(trifluoromethyl)benzoic acid IUPAC Name: 4-sulfanyl-3-(trifluoromethyl)benzoic acid Traditional Name: 4-mercapto-3-(trifluoromethyl)benzoic acid Formula: C8H5F3O2S MolecularWeight: 222.18431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5F3O2S/c9-8(10,11)5-3-4(7(12)13)1-2-6(5)14/h1-3,14H,(H,12,13)