3,4,5-tris(fluoranyl)-2-[(2-methyl-4-methylsulfanyl-phenyl)amino]benzoic acid

Systemtic Name: 3,4,5-tris(fluoranyl)-2-[(2-methyl-4-methylsulfanyl-phenyl)amino]benzoic acid Openeye Name: 3,4,5-trifluoro-2-(2-methyl-4-methylsulfanyl-anilino)benzoic acid CAS Name: 3,4,5-trifluoro-2-[2-methyl-4-(methylthio)anilino]benzoic acid IUPAC Name: 3,4,5-trifluoro-2-(2-methyl-4-methylsulfanylanilino)benzoic acid Traditional Name: 3,4,5-trifluoro-2-[2-methyl-4-(methylthio)anilino]benzoic acid Formula: C15H12F3NO2S MolecularWeight: 327.32149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC)NC2=C(C(=C(C=C2C(=O)O)F)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)SC)NC2=C(C(=C(C=C2C(=O)O)F)F)F

InChI

InChI=1S/C15H12F3NO2S/c1-7-5-8(22-2)3-4-11(7)19-14-9(15(20)21)6-10(16)12(17)13(14)18/h3-6,19H,1-2H3,(H,20,21)