2-phenylsulfanyl-4-(trifluoromethyl)benzoic acid

Systemtic Name: 2-phenylsulfanyl-4-(trifluoromethyl)benzoic acid Openeye Name: 2-phenylsulfanyl-4-(trifluoromethyl)benzoic acid CAS Name: 2-(phenylthio)-4-(trifluoromethyl)benzoic acid IUPAC Name: 2-phenylsulfanyl-4-(trifluoromethyl)benzoic acid Traditional Name: 2-(phenylthio)-4-(trifluoromethyl)benzoic acid Formula: C14H9F3O2S MolecularWeight: 298.28027

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC(=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H9F3O2S/c15-14(16,17)9-6-7-11(13(18)19)12(8-9)20-10-4-2-1-3-5-10/h1-8H,(H,18,19)