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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C20H15Cl2N3O6S MolecularWeight: 496.3206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])Cl)C4CC4

InChI

InChI=1S/C20H15Cl2N3O6S/c1-11-3-2-4-14(12-5-6-12)19(11)30-20-17(10-18(22)23-24-20)31-32(28,29)13-7-8-15(21)16(9-13)25(26)27/h2-4,7-10,12H,5-6H2,1H3