2-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]terephthalic acid

Systemtic Name: 2-[[3,5-bis(trifluoromethyl)phenyl]carbonylamino]terephthalic acid Openeye Name: 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]terephthalic acid CAS Name: 2-[[[3,5-bis(trifluoromethyl)phenyl]-oxomethyl]amino]terephthalic acid IUPAC Name: 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]terephthalic acid Traditional Name: 2-[[3,5-bis(trifluoromethyl)benzoyl]amino]terephthalic acid Formula: C17H9F6NO5 MolecularWeight: 421.247479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H9F6NO5/c18-16(19,20)9-3-8(4-10(6-9)17(21,22)23)13(25)24-12-5-7(14(26)27)1-2-11(12)15(28)29/h1-6H,(H,24,25)(H,26,27)(H,28,29)