pyridazin-4-yl 2,3,6-tris(chloranyl)-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate

Systemtic Name: pyridazin-4-yl 2,3,6-tris(chloranyl)-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate Openeye Name: pyridazin-4-yl 2,3,6-trichloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate CAS Name: 2,3,6-trichloro-5-(2-cyclopropyl-6-methylphenoxy)benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2,3,6-trichloro-5-(2-cyclopropyl-6-methylphenoxy)benzoate Traditional Name: 2,3,6-trichloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoic acid pyridazin-4-yl ester Formula: C21H15Cl3N2O3 MolecularWeight: 449.7144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC(=C(C(=C2Cl)C(=O)OC3=CN=NC=C3)Cl)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC(=C(C(=C2Cl)C(=O)OC3=CN=NC=C3)Cl)Cl)C4CC4

InChI

InChI=1S/C21H15Cl3N2O3/c1-11-3-2-4-14(12-5-6-12)20(11)29-16-9-15(22)18(23)17(19(16)24)21(27)28-13-7-8-25-26-10-13/h2-4,7-10,12H,5-6H2,1H3