4-Hydroxy-alpha-[[(1Z)-3-methoxy-1-methyl-3-oxo-1-propen-1-yl-d4]amino]-benzene-d4acetic Acid Sodium Salt

Analyte Name

4-Hydroxy-alpha-(((1Z)-3-methoxy-1-methyl-3-oxo-1-propen-1-yl-d4)amino)-benzene-d4acetic Acid Sodium Salt

Molecular Formula

C13 D8 H6 N Na O5

Molecular Weight

295.293

Accurate Mass

295.127

SMILES

[2H]\C(=C(\NC(C(=O)O[Na])c1c([2H])c([2H])c(O)c([2H])c1[2H])/C([2H])([2H])[2H])\C(=O)OC

InChI

InChI=1S/C13H15NO5.Na/c1-8(7-11(16)19-2)14-12(13(17)18)9-3-5-10(15)6-4-9;/h3-7,12,14-15H,1-2H3,(H,17,18);/q;+1/p-1/b8-7-;/i1D3,3D,4D,5D,6D,7D;

IUPAC

[2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)-2-[[(Z)-1,1,1,3-tetradeuterio-4-methoxy-4-oxobut-2-en-2-yl]amino]acetyl]oxysodium

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat