pyridazin-4-yl 2-chloranyl-5-(2,6-dimethylphenoxy)-4-methyl-benzenesulfonate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2,6-dimethylphenoxy)-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2,6-dimethylphenoxy)-4-methyl-benzenesulfonate CAS Name: 2-chloro-5-(2,6-dimethylphenoxy)-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2,6-dimethylphenoxy)-4-methylbenzenesulfonate Traditional Name: 2-chloro-5-(2,6-dimethylphenoxy)-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O4S/c1-12-5-4-6-13(2)19(12)25-17-10-18(16(20)9-14(17)3)27(23,24)26-15-7-8-21-22-11-15/h4-11H,1-3H3