(2,5-dimethylphenyl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate

Systemtic Name: (2,5-dimethylphenyl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate Openeye Name: (2,5-dimethylphenyl) 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzenesulfonate CAS Name: 4-(4,5-dichloro-6-oxo-1-pyridazinyl)benzenesulfonic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonate Traditional Name: 4-(4,5-dichloro-6-keto-pyridazin-1-yl)benzenesulfonic acid (2,5-dimethylphenyl) ester Formula: C18H14Cl2N2O4S MolecularWeight: 425.28576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14Cl2N2O4S/c1-11-3-4-12(2)16(9-11)26-27(24,25)14-7-5-13(6-8-14)22-18(23)17(20)15(19)10-21-22/h3-10H,1-2H3