Analyte Name

2-[2-(4-Chloro-6-nitro-2,4-cyclohexadien-1-yl)diazenyl]-4,6-bis(1,1-dimethylethyl)-phenol-d20

Molecular Formula

C20 D20 H6 Cl N3 O3

Molecular Weight

412.015

Accurate Mass

411.292

SMILES

[2H]c1c(\N=N\C2C=CC(=CC2[N+](=O)[O-])Cl)c(O)c(c([2H])c1C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C20H26ClN3O3/c1-19(2,3)12-9-14(20(4,5)6)18(25)16(10-12)23-22-15-8-7-13(21)11-17(15)24(26)27/h7-11,15,17,25H,1-6H3/b23-22+/i1D3,2D3,3D3,4D3,5D3,6D3,9D,10D

IUPAC

2-[(E)-(4-chloro-6-nitrocyclohexa-2,4-dien-1-yl)diazenyl]-3,5-dideuterio-4,6-bis[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol

Unlabelled CAS Number

1938145-97-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat