Analyte Name

N-Acetoacetylcresidine Sulfonic Acid Sodium Salt

CAS Number

133167-77-8

Molecular Formula

C12 H14 N O6 S . Na

Molecular Weight

323.297

Accurate Mass

323.044

SMILES

[Na+].COc1cc(c(C)cc1NC(=O)CC(=O)C)S(=O)(=O)[O-]

InChI

InChI=1S/C12H15NO6S.Na/c1-7-4-9(13-12(15)5-8(2)14)10(19-3)6-11(7)20(16,17)18;/h4,6H,5H2,1-3H3,(H,13,15)(H,16,17,18);/q;+1/p-1

IUPAC

sodium;5-methoxy-2-methyl-4-(3-oxobutanoylamino)benzenesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat