2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[4-(trifluoromethylsulfanyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[oxo-[4-(trifluoromethylthio)phenyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[4-(trifluoromethylsulfanyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[4-(trifluoromethylthio)benzoyl]amino]terephthalic acid Formula: C16H10F3NO5S MolecularWeight: 385.31451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)C(=O)O)SC(F)(F)F

InChI

InChI=1S/C16H10F3NO5S/c17-16(18,19)26-10-4-1-8(2-5-10)13(21)20-12-7-9(14(22)23)3-6-11(12)15(24)25/h1-7H,(H,20,21)(H,22,23)(H,24,25)