(8-chloranyl-2-oxidanylidene-3-propanoyl-1H-quinolin-4-yl) methyl sulfate

Systemtic Name: (8-chloranyl-2-oxidanylidene-3-propanoyl-1H-quinolin-4-yl) methyl sulfate Openeye Name: (8-chloro-2-oxo-3-propanoyl-1H-quinolin-4-yl) methyl sulfate CAS Name: sulfuric acid [8-chloro-2-oxo-3-(1-oxopropyl)-1H-quinolin-4-yl] methyl ester IUPAC Name: (8-chloro-2-oxo-3-propanoyl-1H-quinolin-4-yl) methyl sulfate Traditional Name: sulfuric acid (8-chloro-2-keto-3-propionyl-1H-quinolin-4-yl) methyl ester Formula: C13H12ClNO6S MolecularWeight: 345.75548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C(=CC=C2)Cl)NC1=O)OS(=O)(=O)OC

Isomeric SMILES

CCC(=O)C1=C(C2=C(C(=CC=C2)Cl)NC1=O)OS(=O)(=O)OC

InChI

InChI=1S/C13H12ClNO6S/c1-3-9(16)10-12(21-22(18,19)20-2)7-5-4-6-8(14)11(7)15-13(10)17/h4-6H,3H2,1-2H3,(H,15,17)