zinc [1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2,2-dimethylpropanoate

Systemtic Name: zinc [1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2,2-dimethylpropanoate Openeye Name: zinc [1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2,2-dimethylpropanoate CAS Name: zinc 2,2-dimethylpropanoic acid [1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] ester IUPAC Name: zinc [1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2,2-dimethylpropanoate Traditional Name: zinc 2,2-dimethylpropionic acid [1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] ester Formula: C30H34Cl4N6O4Zn+2 MolecularWeight: 749.84976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.CC(C)(C)C(=O)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.[Zn+2]

Isomeric SMILES

CC(C)(C)C(=O)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.CC(C)(C)C(=O)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl.[Zn+2]

InChI

InChI=1S/2C15H17Cl2N3O2.Zn/c2*1-15(2,3)14(21)22-13(7-20-9-18-8-19-20)11-5-4-10(16)6-12(11)17;/h2*4-6,8-9,13H,7H2,1-3H3;/q;;+2