3,5-bis(trifluoromethylsulfanyl)benzoic acid

Systemtic Name: 3,5-bis(trifluoromethylsulfanyl)benzoic acid Openeye Name: 3,5-bis(trifluoromethylsulfanyl)benzoic acid CAS Name: 3,5-bis(trifluoromethylthio)benzoic acid IUPAC Name: 3,5-bis(trifluoromethylsulfanyl)benzoic acid Traditional Name: 3,5-bis(trifluoromethylthio)benzoic acid Formula: C9H4F6O2S2 MolecularWeight: 322.247279

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C=C1SC(F)(F)F)SC(F)(F)F)C(=O)O

Isomeric SMILES

C1=C(C=C(C=C1SC(F)(F)F)SC(F)(F)F)C(=O)O

InChI

InChI=1S/C9H4F6O2S2/c10-8(11,12)18-5-1-4(7(16)17)2-6(3-5)19-9(13,14)15/h1-3H,(H,16,17)