Chem
J-GLOBAL ID：201807016453415620   Nikkaji number：J3.682.188D

2,2-Bis(5-phenyl-2,4-pentadiynyl)malonic acid dimethyl ester

2,2-ビス(5-フェニル-2,4-ペンタジイニル)マロン酸ジメチル
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： C27H20O4
Molecular formula furigana： C27-H20-O4
Molecular weight： 408.453
InChI： InChI=1S/C27H20O4/c1-30-25(28)27(26(29)31-2,21-13-5-11-19-23-15-7-3-8-16-23)22-14-6-12-20-24-17-9-4-10-18-24/h3-4,7-10,15-18H,21-22H2,1-2H3
InChI key： HQTLITZQSAHFIY-UHFFFAOYSA-N
SMILES： COC(=O)C(CC#CC#Cc1ccccc1)(CC#CC#Cc1ccccc1)C(=O)OC
Systematic name  (3)：
  • 2,2-ビス(5-フェニル-2,4-ペンタジイニル)マロン酸ジメチル
  • 1,3-ジメチル 2,2-ビス(5-フェニルペンタ-2,4-ジイン-1-イル)プロパンジオアート
  • 1,3-dimethyl 2,2-bis(5-phenylpenta-2,4-diyn-1-yl)propanedioate
Other name (1)：
  • 2,2-Bis(5-phenyl-2,4-pentadiynyl)malonic acid dimethyl ester
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