(4-chloranyl-3-methyl-phenyl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate

Systemtic Name: (4-chloranyl-3-methyl-phenyl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate Openeye Name: (4-chloro-3-methyl-phenyl) 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzenesulfonate CAS Name: 4-(4,5-dichloro-6-oxo-1-pyridazinyl)benzenesulfonic acid (4-chloro-3-methylphenyl) ester IUPAC Name: (4-chloro-3-methylphenyl) 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonate Traditional Name: 4-(4,5-dichloro-6-keto-pyridazin-1-yl)benzenesulfonic acid (4-chloro-3-methyl-phenyl) ester Formula: C17H11Cl3N2O4S MolecularWeight: 445.70424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl)Cl

InChI

InChI=1S/C17H11Cl3N2O4S/c1-10-8-12(4-7-14(10)18)26-27(24,25)13-5-2-11(3-6-13)22-17(23)16(20)15(19)9-21-22/h2-9H,1H3