2-[6-[2-chloranyl-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[6-[2-chloranyl-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]ethanoate Openeye Name: 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]acetate CAS Name: 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-1-benzotriazol-1-iumyl]acetate IUPAC Name: 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methylbenzotriazol-1-ium-1-yl]acetate Traditional Name: 2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]acetate Formula: C16H11ClF3N3O3 MolecularWeight: 385.72505

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3N3O3/c1-23(8-15(24)25)13-7-10(3-4-12(13)21-22-23)26-14-5-2-9(6-11(14)17)16(18,19)20/h2-7H,8H2,1H3