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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzenesulfonate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)benzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)benzenesulfonate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzenesulfonic acid pyridazin-4-yl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC(=C(C=C2)Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC(=C(C=C2)Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C20H17ClN2O4S/c1-13-3-2-4-17(14-5-6-14)20(13)26-15-7-8-18(21)19(11-15)28(24,25)27-16-9-10-22-23-12-16/h2-4,7-12,14H,5-6H2,1H3