pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-benzenesulfonate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-benzenesulfonate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-methylbenzenesulfonate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC(=C(C=C2C)Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC(=C(C=C2C)Cl)S(=O)(=O)OC3=CN=NC=C3)C4CC4

InChI

InChI=1S/C21H19ClN2O4S/c1-13-4-3-5-17(15-6-7-15)21(13)27-19-11-20(18(22)10-14(19)2)29(25,26)28-16-8-9-23-24-12-16/h3-5,8-12,15H,6-7H2,1-2H3