Chem
J-GLOBAL ID：200907043145926905   Nikkaji number：J1.105.193F

1,6,12-Tridecatriyne-4,4,9,9-tetracarboxylic acid tetraethyl ester

1,6,12-トリデカトリイン-4,4,9,9-テトラカルボン酸テトラエチル
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： C25H32O8
Molecular formula furigana： C25-H32-O8
Molecular weight： 460.523
InChI： InChI=1S/C25H32O8/c1-7-13-17-25(22(28)32-11-5,23(29)33-12-6)19-15-14-18-24(16-8-2,20(26)30-9-3)21(27)31-10-4/h1-2H,9-13,16-19H2,3-6H3
InChI key： HGXNDUGRVNOQRH-UHFFFAOYSA-N
SMILES： CCOC(=O)C(CCC#C)(CC#CCC(CC#C)(C(=O)OCC)C(=O)OCC)C(=O)OCC
Systematic name  (3)：
  • 1,6,12-トリデカトリイン-4,4,9,9-テトラカルボン酸テトラエチル
  • 1,1,6,6-テトラエチル 1-(ブタ-3-イン-1-イル)-6-(プロパ-2-イン-1-イル)ヘキサ-3-イン-1,1,6,6-テトラカルボキシラート
  • 1,1,6,6-tetraethyl 1-(but-3-yn-1-yl)-6-(prop-2-yn-1-yl)hex-3-yne-1,1,6,6-tetracarboxylate
Other name (1)：
  • 1,6,12-Tridecatriyne-4,4,9,9-tetracarboxylic acid tetraethyl ester
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