zinc N-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenyl-ethanimine diethanoate

Systemtic Name: zinc N-[4-chloranyl-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenyl-ethanimine diethanoate Openeye Name: zinc N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenyl-ethanimine diacetate CAS Name: zinc N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(1-imidazolyl)-2-phenylethanimine diacetate IUPAC Name: zinc N-[4-chloro-2-(trifluoromethyl)phenyl]-1-imidazol-1-yl-2-phenylethanimine diacetate Traditional Name: zinc [4-chloro-2-(trifluoromethyl)phenyl]-(1-imidazol-1-yl-2-phenyl-ethylidene)amine diacetate Formula: C40H32Cl2F6N6O4Zn MolecularWeight: 911.025299

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N3C=CN=C3.C1=CC=C(C=C1)CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N3C=CN=C3.[Zn+2]

Isomeric SMILES

CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N3C=CN=C3.C1=CC=C(C=C1)CC(=NC2=C(C=C(C=C2)Cl)C(F)(F)F)N3C=CN=C3.[Zn+2]

InChI

InChI=1S/2C18H13ClF3N3.2C2H4O2.Zn/c2*19-14-6-7-16(15(11-14)18(20,21)22)24-17(25-9-8-23-12-25)10-13-4-2-1-3-5-13;2*1-2(3)4;/h2*1-9,11-12H,10H2;2*1H3,(H,3,4);/q;;;;+2/p-2