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

Systemtic Name: pyridazin-4-yl 2-chloranyl-4-methyl-5-(2-propan-2-ylphenoxy)benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-isopropylphenoxy)-4-methyl-benzenesulfonate CAS Name: 2-chloro-4-methyl-5-(2-propan-2-ylphenoxy)benzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-4-methyl-5-(2-propan-2-ylphenoxy)benzenesulfonate Traditional Name: 2-chloro-5-(2-isopropylphenoxy)-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-13(2)16-6-4-5-7-18(16)26-19-11-20(17(21)10-14(19)3)28(24,25)27-15-8-9-22-23-12-15/h4-13H,1-3H3