pyridazin-4-yl 2-chloranyl-5-(2-methylphenoxy)-4-nitro-benzenesulfonate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-methylphenoxy)-4-nitro-benzenesulfonate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-methylphenoxy)-4-nitro-benzenesulfonate CAS Name: 2-chloro-5-(2-methylphenoxy)-4-nitrobenzenesulfonic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-methylphenoxy)-4-nitrobenzenesulfonate Traditional Name: 2-chloro-5-(2-methylphenoxy)-4-nitro-benzenesulfonic acid pyridazin-4-yl ester Formula: C17H12ClN3O6S MolecularWeight: 421.81168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=C(C=C2[N+](=O)[O-])Cl)S(=O)(=O)OC3=CN=NC=C3

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=C(C=C2[N+](=O)[O-])Cl)S(=O)(=O)OC3=CN=NC=C3

InChI

InChI=1S/C17H12ClN3O6S/c1-11-4-2-3-5-15(11)26-16-9-17(13(18)8-14(16)21(22)23)28(24,25)27-12-6-7-19-20-10-12/h2-10H,1H3