[6-chloranyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl] 4-methylbenzenesulfonate

Systemtic Name: [6-chloranyl-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl] 4-methylbenzenesulfonate Openeye Name: [6-chloro-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-chloro-3-[3-(trifluoromethyl)phenoxy]-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-chloro-3-[3-(trifluoromethyl)phenoxy]pyridazin-4-yl] ester Formula: C18H12ClF3N2O4S MolecularWeight: 444.81209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN=C2OC3=CC=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NN=C2OC3=CC=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3N2O4S/c1-11-5-7-14(8-6-11)29(25,26)28-15-10-16(19)23-24-17(15)27-13-4-2-3-12(9-13)18(20,21)22/h2-10H,1H3