6-[2-chloranyl-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazole; methane; ethanoate

Systemtic Name: 6-[2-chloranyl-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazole; methane; ethanoate Openeye Name: 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazole; methane; acetate CAS Name: 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methylbenzotriazole; methane; acetate IUPAC Name: 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methylbenzotriazole; methane; acetate Traditional Name: 6-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazole; methane; acetate Formula: C17H16ClF3N3O3- MolecularWeight: 402.77545

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Descriptors Computed from Structure

Canonical SMILES:

C.CC(=O)[O-].CN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)N=N1

Isomeric SMILES

C.CC(=O)[O-].CN1C2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)N=N1

InChI

InChI=1S/C14H9ClF3N3O.C2H4O2.CH4/c1-21-12-7-9(3-4-11(12)19-20-21)22-13-5-2-8(6-10(13)15)14(16,17)18;1-2(3)4;/h2-7H,1H3;1H3,(H,3,4);1H4/p-1