pyridazin-4-yl 5-(2-tert-butylphenoxy)-2-chloranyl-4-methyl-benzenesulfonate

Systemtic Name: pyridazin-4-yl 5-(2-tert-butylphenoxy)-2-chloranyl-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 5-(2-tert-butylphenoxy)-2-chloro-4-methyl-benzenesulfonate CAS Name: 5-(2-tert-butylphenoxy)-2-chloro-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 5-(2-tert-butylphenoxy)-2-chloro-4-methylbenzenesulfonate Traditional Name: 5-(2-tert-butylphenoxy)-2-chloro-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=C1OC2=CC=CC=C2C(C)(C)C)S(=O)(=O)OC3=CN=NC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC2=CC=CC=C2C(C)(C)C)S(=O)(=O)OC3=CN=NC=C3)Cl

InChI

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