2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]ethanoic acid Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]acetic acid CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-1-benzotriazol-1-iumyl]acetic acid IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methylbenzotriazol-1-ium-1-yl]acetic acid Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-1-methyl-benzotriazol-1-ium-1-yl]acetic acid Formula: C16H12ClF3N3O3+ MolecularWeight: 386.73299

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(C=C(C=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=C(C=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)13-4-3-10(7-12(13)21-22-23)26-14-5-2-9(6-11(14)17)16(18,19)20/h2-7H,8H2,1H3/p+1