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

Systemtic Name: pyridazin-4-yl 2,3,6-tris(chloranyl)-5-(2-cyclopropyl-6-methyl-phenoxy)benzenesulfonate Openeye Name: pyridazin-4-yl 2,3,6-trichloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzenesulfonate CAS Name: 2,3,6-trichloro-5-(2-cyclopropyl-6-methylphenoxy)benzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2,3,6-trichloro-5-(2-cyclopropyl-6-methylphenoxy)benzenesulfonate Traditional Name: 2,3,6-trichloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzenesulfonic acid pyridazin-4-yl ester Formula: C20H15Cl3N2O4S MolecularWeight: 485.7681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15Cl3N2O4S/c1-11-3-2-4-14(12-5-6-12)19(11)28-16-9-15(21)17(22)20(18(16)23)30(26,27)29-13-7-8-24-25-10-13/h2-4,7-10,12H,5-6H2,1H3