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

Systemtic Name: (3-propan-2-ylphenyl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate Openeye Name: (3-isopropylphenyl) 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzenesulfonate CAS Name: 4-(4,5-dichloro-6-oxo-1-pyridazinyl)benzenesulfonic acid (3-propan-2-ylphenyl) ester IUPAC Name: (3-propan-2-ylphenyl) 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonate Traditional Name: 4-(4,5-dichloro-6-keto-pyridazin-1-yl)benzenesulfonic acid m-cumenyl ester Formula: C19H16Cl2N2O4S MolecularWeight: 439.31234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N2O4S/c1-12(2)13-4-3-5-15(10-13)27-28(25,26)16-8-6-14(7-9-16)23-19(24)18(21)17(20)11-22-23/h3-12H,1-2H3