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

Systemtic Name: pyridazin-4-yl 2-chloranyl-4-methyl-5-(5-methyl-2-propan-2-yl-phenoxy)benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-isopropyl-5-methyl-phenoxy)-4-methyl-benzenesulfonate CAS Name: 2-chloro-4-methyl-5-(5-methyl-2-propan-2-ylphenoxy)benzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-4-methyl-5-(5-methyl-2-propan-2-ylphenoxy)benzenesulfonate Traditional Name: 2-chloro-5-(2-isopropyl-5-methyl-phenoxy)-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=C(C=C2C)Cl)S(=O)(=O)OC3=CN=NC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=C(C=C2C)Cl)S(=O)(=O)OC3=CN=NC=C3

InChI

InChI=1S/C21H21ClN2O4S/c1-13(2)17-6-5-14(3)9-20(17)27-19-11-21(18(22)10-15(19)4)29(25,26)28-16-7-8-23-24-12-16/h5-13H,1-4H3