4,5-bis(chloranyl)-1-[(2R)-3-methylsulfanyl-2-oxidanyl-propyl]-6-oxidanylidene-pyridazin-3-olate

Systemtic Name: 4,5-bis(chloranyl)-1-[(2R)-3-methylsulfanyl-2-oxidanyl-propyl]-6-oxidanylidene-pyridazin-3-olate Openeye Name: 4,5-dichloro-1-[(2R)-2-hydroxy-3-methylsulfanyl-propyl]-6-oxo-pyridazin-3-olate CAS Name: 4,5-dichloro-1-[(2R)-2-hydroxy-3-(methylthio)propyl]-6-oxo-3-pyridazinolate IUPAC Name: 4,5-dichloro-1-[(2R)-2-hydroxy-3-methylsulfanylpropyl]-6-oxopyridazin-3-olate Traditional Name: 4,5-dichloro-1-[(2R)-2-hydroxy-3-(methylthio)propyl]-6-keto-pyridazin-3-olate Formula: C8H9Cl2N2O3S- MolecularWeight: 284.13966

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CN1C(=O)C(=C(C(=N1)[O-])Cl)Cl)O

Isomeric SMILES

CSC[C@@H](CN1C(=O)C(=C(C(=N1)[O-])Cl)Cl)O

InChI

InChI=1S/C8H10Cl2N2O3S/c1-16-3-4(13)2-12-8(15)6(10)5(9)7(14)11-12/h4,13H,2-3H2,1H3,(H,11,14)/p-1/t4-/m1/s1