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

Systemtic Name: (4-propoxyphenyl) 4-[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]benzenesulfonate Openeye Name: (4-propoxyphenyl) 4-(4,5-dichloro-6-oxo-pyridazin-1-yl)benzenesulfonate CAS Name: 4-(4,5-dichloro-6-oxo-1-pyridazinyl)benzenesulfonic acid (4-propoxyphenyl) ester IUPAC Name: (4-propoxyphenyl) 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonate Traditional Name: 4-(4,5-dichloro-6-keto-pyridazin-1-yl)benzenesulfonic acid (4-propoxyphenyl) ester Formula: C19H16Cl2N2O5S MolecularWeight: 455.31174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C19H16Cl2N2O5S/c1-2-11-27-14-5-7-15(8-6-14)28-29(25,26)16-9-3-13(4-10-16)23-19(24)18(21)17(20)12-22-23/h3-10,12H,2,11H2,1H3