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

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2,4,6-triisopropylbenzenesulfonate CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: 2,4,6-triisopropylbenzenesulfonic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C29H35ClN2O4S MolecularWeight: 543.1172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OS(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C)Cl)C4CC4

InChI

InChI=1S/C29H35ClN2O4S/c1-16(2)21-13-23(17(3)4)28(24(14-21)18(5)6)37(33,34)36-25-15-26(30)31-32-29(25)35-27-19(7)9-8-10-22(27)20-11-12-20/h8-10,13-18,20H,11-12H2,1-7H3