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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclohexylphenoxy)-4-methyl-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclohexylphenoxy)-4-methyl-benzenesulfonate CAS Name: 2-chloro-5-(2-cyclohexylphenoxy)-4-methylbenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclohexylphenoxy)-4-methylbenzenesulfonate Traditional Name: 2-chloro-5-(2-cyclohexylphenoxy)-4-methyl-benzenesulfonic acid pyridazin-4-yl ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC2=CC=CC=C2C3CCCCC3)S(=O)(=O)OC4=CN=NC=C4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OC2=CC=CC=C2C3CCCCC3)S(=O)(=O)OC4=CN=NC=C4)Cl

InChI

InChI=1S/C23H23ClN2O4S/c1-16-13-20(24)23(31(27,28)30-18-11-12-25-26-15-18)14-22(16)29-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8H2,1H3