[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-methoxybenzenesulfonate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-methoxybenzenesulfonate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=CC=C(C=C3)OC)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=CC=C(C=C3)OC)Cl)C4CC4

InChI

InChI=1S/C21H19ClN2O5S/c1-13-4-3-5-17(14-6-7-14)20(13)28-21-18(12-19(22)23-24-21)29-30(25,26)16-10-8-15(27-2)9-11-16/h3-5,8-12,14H,6-7H2,1-2H3