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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chloranylbenzenesulfonate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C20H16Cl2N2O4S MolecularWeight: 451.32304

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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)Cl)Cl)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C20H16Cl2N2O4S/c1-12-3-2-4-16(13-5-6-13)19(12)27-20-17(11-18(22)23-24-20)28-29(25,26)15-9-7-14(21)8-10-15/h2-4,7-11,13H,5-6H2,1H3