1-(8-oxidanylquinolin-5-yl)ethanone sulfate

Systemtic Name: 1-(8-oxidanylquinolin-5-yl)ethanone sulfate Openeye Name: 1-(8-hydroxy-5-quinolyl)ethanone sulfate CAS Name: 1-(8-hydroxy-5-quinolinyl)ethanone sulfate IUPAC Name: 1-(8-hydroxyquinolin-5-yl)ethanone sulfate Traditional Name: 1-(8-hydroxy-5-quinolyl)ethanone sulfate Formula: C22H18N2O8S-2 MolecularWeight: 470.45192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C2C=CC=NC2=C(C=C1)O.CC(=O)C1=C2C=CC=NC2=C(C=C1)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C2C=CC=NC2=C(C=C1)O.CC(=O)C1=C2C=CC=NC2=C(C=C1)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C11H9NO2.H2O4S/c2*1-7(13)8-4-5-10(14)11-9(8)3-2-6-12-11;1-5(2,3)4/h2*2-6,14H,1H3;(H2,1,2,3,4)/p-2