Chem
J-GLOBAL ID：201107084517705761   Nikkaji number：J2.976.699A

(E)-2,5-Di(2H3)methyl(3,4,4,5-2H4)-2-hexenedioic acid di(2H3)methyl ester

(E)-2,5-ジ(2H3)メチル(3,4,4,5-2H4)-2-ヘキセン二酸ジ(2H3)メチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C10[2H]16O4
Molecular formula furigana： C10-H16-O4
Molecular weight： 216.332
InChI： InChI=1S/C10H16O4/c1-7(9(11)13-3)5-6-8(2)10(12)14-4/h5,8H,6H2,1-4H3/b7-5+/i1D3,2D3,3D3,4D3,5D,6D2,8D
InChI key： ZXXDDSPXEBOXDR-UATSIPHISA-N
SMILES： C(=C(\C(=O)OC([2H])([2H])[2H])/C([2H])([2H])[2H])(\[2H])/C([2H])([2H])C([2H])(C(=O)OC([2H])([2H])[2H])C([2H])([2H])[2H]
Systematic name  (3)：
  • (E)-2,5-ジ(2H3)メチル(3,4,4,5-2H4)-2-ヘキセン二酸ジ(2H3)メチル
  • 1,6-ジ(2H3)メチル (2E)-2,5-ジ(2H3)メチル(2H4)ヘキサ-2-エンジオアート
  • 1,6-di(2H3)methyl (2E)-2,5-di(2H3)methyl(2H4)hex-2-enedioate
Other name (1)：
  • (E)-2,5-Di(2H3)methyl(3,4,4,5-2H4)-2-hexenedioic acid di(2H3)methyl ester
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