2-[1-methyl-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-benzotriazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-methyl-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-benzotriazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-methyl-6-[[5-(trifluoromethyl)-2-pyridyl]oxy]benzotriazol-1-ium-1-yl]acetic acid CAS Name: 2-[1-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1-benzotriazol-1-iumyl]acetic acid IUPAC Name: 2-[1-methyl-6-[5-(trifluoromethyl)pyridin-2-yl]oxybenzotriazol-1-ium-1-yl]acetic acid Traditional Name: 2-[1-methyl-6-[[5-(trifluoromethyl)-2-pyridyl]oxy]benzotriazol-1-ium-1-yl]acetic acid Formula: C15H12F3N4O3+ MolecularWeight: 353.27599

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=CC(=C2)OC3=NC=C(C=C3)C(F)(F)F)N=N1)CC(=O)O

Isomeric SMILES

C[N+]1(C2=C(C=CC(=C2)OC3=NC=C(C=C3)C(F)(F)F)N=N1)CC(=O)O

InChI

InChI=1S/C15H11F3N4O3/c1-22(8-14(23)24)12-6-10(3-4-11(12)20-21-22)25-13-5-2-9(7-19-13)15(16,17)18/h2-7H,8H2,1H3/p+1