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

Systemtic Name: pyridazin-4-yl 5-(2-butylphenoxy)-2-chloranyl-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 5-(2-butylphenoxy)-2-chloro-4-methyl-benzenesulfonate CAS Name: 5-(2-butylphenoxy)-2-chloro-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 5-(2-butylphenoxy)-2-chloro-4-methylbenzenesulfonate Traditional Name: 5-(2-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:

CCCCC1=CC=CC=C1OC2=CC(=C(C=C2C)Cl)S(=O)(=O)OC3=CN=NC=C3

Isomeric SMILES

CCCCC1=CC=CC=C1OC2=CC(=C(C=C2C)Cl)S(=O)(=O)OC3=CN=NC=C3

InChI

InChI=1S/C21H21ClN2O4S/c1-3-4-7-16-8-5-6-9-19(16)27-20-13-21(18(22)12-15(20)2)29(25,26)28-17-10-11-23-24-14-17/h5-6,8-14H,3-4,7H2,1-2H3