2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[2-(difluoromethylthio)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[2-(difluoromethylsulfanyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[2-(difluoromethylthio)benzoyl]amino]terephthalic acid Formula: C16H11F2NO5S MolecularWeight: 367.324046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2NO5S/c17-16(18)25-12-4-2-1-3-10(12)13(20)19-11-7-8(14(21)22)5-6-9(11)15(23)24/h1-7,16H,(H,19,20)(H,21,22)(H,23,24)