6,7-bis(chloranyl)-3-[(2R)-3-methylsulfanyl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 6,7-bis(chloranyl)-3-[(2R)-3-methylsulfanyl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 6,7-dichloro-3-[(2R)-2-hydroxy-3-methylsulfanyl-propyl]-4-oxo-phthalazin-1-olate CAS Name: 6,7-dichloro-3-[(2R)-2-hydroxy-3-(methylthio)propyl]-4-oxo-1-phthalazinolate IUPAC Name: 6,7-dichloro-3-[(2R)-2-hydroxy-3-methylsulfanylpropyl]-4-oxophthalazin-1-olate Traditional Name: 6,7-dichloro-3-[(2R)-2-hydroxy-3-(methylthio)propyl]-4-keto-phthalazin-1-olate Formula: C12H11Cl2N2O3S- MolecularWeight: 334.19834

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CN1C(=O)C2=CC(=C(C=C2C(=N1)[O-])Cl)Cl)O

Isomeric SMILES

CSC[C@@H](CN1C(=O)C2=CC(=C(C=C2C(=N1)[O-])Cl)Cl)O

InChI

InChI=1S/C12H12Cl2N2O3S/c1-20-5-6(17)4-16-12(19)8-3-10(14)9(13)2-7(8)11(18)15-16/h2-3,6,17H,4-5H2,1H3,(H,15,18)/p-1/t6-/m1/s1