5-[[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenyl]methylamino]-2-(trifluoromethyloxy)benzoic acid

Systemtic Name: 5-[[2,3,5,6-tetrakis(fluoranyl)-4-(trifluoromethyl)phenyl]methylamino]-2-(trifluoromethyloxy)benzoic acid Openeye Name: 5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]-2-(trifluoromethoxy)benzoic acid CAS Name: 5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]-2-(trifluoromethoxy)benzoic acid IUPAC Name: 5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methylamino]-2-(trifluoromethoxy)benzoic acid Traditional Name: 5-[[2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzyl]amino]-2-(trifluoromethoxy)benzoic acid Formula: C16H7F10NO3 MolecularWeight: 451.215712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NCC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)C(=O)O)OC(F)(F)F

Isomeric SMILES

C1=CC(=C(C=C1NCC2=C(C(=C(C(=C2F)F)C(F)(F)F)F)F)C(=O)O)OC(F)(F)F

InChI

InChI=1S/C16H7F10NO3/c17-10-7(11(18)13(20)9(12(10)19)15(21,22)23)4-27-5-1-2-8(30-16(24,25)26)6(3-5)14(28)29/h1-3,27H,4H2,(H,28,29)