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

Systemtic Name: pyridazin-4-yl 5-(4-bromanyl-2-propan-2-yl-phenoxy)-2-chloranyl-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 5-(4-bromo-2-isopropyl-phenoxy)-2-chloro-4-methyl-benzenesulfonate CAS Name: 5-(4-bromo-2-propan-2-ylphenoxy)-2-chloro-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 5-(4-bromo-2-propan-2-ylphenoxy)-2-chloro-4-methylbenzenesulfonate Traditional Name: 5-(4-bromo-2-isopropyl-phenoxy)-2-chloro-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C20H18BrClN2O4S MolecularWeight: 497.78992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrClN2O4S/c1-12(2)16-9-14(21)4-5-18(16)27-19-10-20(17(22)8-13(19)3)29(25,26)28-15-6-7-23-24-11-15/h4-12H,1-3H3