Analyte Name

Acetochlor ESA D5

Molecular Formula

C14 H15 D5 N O5 S . Na

Molecular Weight

342.4

Accurate Mass

342.13

SMILES

O=C(N(C1=C(C=CC=C1C)CC)COC([2H])(C([2H])([2H])[2H])[2H])CS(=O)(O[Na])=O

InChI

InChI=1S/C14H21NO5S.Na/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19;/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19);/q;+1/p-1/i2D3,5D2;

IUPAC

Sodium 2-(((ethoxy-d5)methyl)(2-ethyl-6-methylphenyl)amino)-2-oxoethane-1-sulfonate

Unlabelled CAS Number

187022-11-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat