trans-Trideuteromethyl-3-(5′-carboxy-3′-methyl-2’-pentenyl)-1,4-naphthoquinone-5,6,7,8-D4

Analyte Name

trans-Trideuteromethyl-3-(5'-carboxy-3'-methyl-2'-pentenyl)-1,4-naphthoquinone-5,6,7,8-D4

Molecular Formula

C18 D7 H11 O4

Molecular Weight

305.376

Accurate Mass

305.164

SMILES

[2H]c1c([2H])c([2H])c2C(=O)C(=C(C\C=C(/C)\CCC(=O)O)C(=O)c2c1[2H])C([2H])([2H])[2H]

InChI

InChI=1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7+/i2D3,3D,4D,5D,6D

IUPAC

(E)-4-methyl-6-[5,6,7,8-tetradeuterio-1,4-dioxo-3-(trideuteriomethyl)naphthalen-2-yl]hex-4-enoic acid

Unlabelled CAS Number

34185-71-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat