[1,4,4-tris(chloranyl)-1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate

Systemtic Name: [1,4,4-tris(chloranyl)-1-(4-chloranylphenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ethanoate Openeye Name: [3,3-dichloro-1-[chloro-(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl] acetate CAS Name: acetic acid [1,4,4-trichloro-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] ester IUPAC Name: [1,4,4-trichloro-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-yl] acetate Traditional Name: acetic acid [3,3-dichloro-1-[chloro-(4-chlorophenoxy)-(1,2,4-triazol-1-yl)methyl]-2,2-dimethyl-propyl] ester Formula: C16H17Cl4N3O3 MolecularWeight: 441.13648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C)(C)C(Cl)Cl)C(N1C=NC=N1)(OC2=CC=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)OC(C(C)(C)C(Cl)Cl)C(N1C=NC=N1)(OC2=CC=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H17Cl4N3O3/c1-10(24)25-13(15(2,3)14(18)19)16(20,23-9-21-8-22-23)26-12-6-4-11(17)5-7-12/h4-9,13-14H,1-3H3