pyridazin-4-yl 5-(2-bromanyl-4-tert-butyl-phenoxy)-2-chloranyl-4-methyl-benzenesulfonate

Systemtic Name: pyridazin-4-yl 5-(2-bromanyl-4-tert-butyl-phenoxy)-2-chloranyl-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 5-(2-bromo-4-tert-butyl-phenoxy)-2-chloro-4-methyl-benzenesulfonate CAS Name: 5-(2-bromo-4-tert-butylphenoxy)-2-chloro-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 5-(2-bromo-4-tert-butylphenoxy)-2-chloro-4-methylbenzenesulfonate Traditional Name: 5-(2-bromo-4-tert-butyl-phenoxy)-2-chloro-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C21H20BrClN2O4S MolecularWeight: 511.8165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(C)(C)C)Br)S(=O)(=O)OC3=CN=NC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC2=C(C=C(C=C2)C(C)(C)C)Br)S(=O)(=O)OC3=CN=NC=C3)Cl

InChI

InChI=1S/C21H20BrClN2O4S/c1-13-9-17(23)20(30(26,27)29-15-7-8-24-25-12-15)11-19(13)28-18-6-5-14(10-16(18)22)21(2,3)4/h5-12H,1-4H3