Chem
J-GLOBAL ID：200907002311192178   Nikkaji number：J2.251.728G

2-Benzyl-2-[2-(phenylethynyl)-3-hexylbiphenyl-5-yl]-3-oxobutanoic acid ethyl ester

2-ベンジル-2-[2-(フェニルエチニル)-3-ヘキシルビフェニル-5-イル]-3-オキソブタン酸エチル
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： C39H40O3
Molecular formula furigana： C39-H40-O3
Molecular weight： 556.746
InChI： InChI=1S/C39H40O3/c1-4-6-7-15-24-34-27-35(39(30(3)40,38(41)42-5-2)29-32-20-13-9-14-21-32)28-37(33-22-16-10-17-23-33)36(34)26-25-31-18-11-8-12-19-31/h8-14,16-23,27-28H,4-7,15,24,29H2,1-3H3
InChI key： JERNKHVXNCUNLG-UHFFFAOYSA-N
SMILES： CCCCCCc1cc(cc(c2ccccc2)c1C#Cc1ccccc1)C(Cc1ccccc1)(C(=O)C)C(=O)OCC
Systematic name  (3)：
  • 2-ベンジル-2-[2-(フェニルエチニル)-3-ヘキシルビフェニル-5-イル]-3-オキソブタン酸エチル
  • エチル 2-ベンジル-2-[5-ヘキシル-6-(2-フェニルエチニル)-[1,1'-ビフェニル]-3-イル]-3-オキソブタノアート
  • ethyl 2-benzyl-2-[5-hexyl-6-(2-phenylethynyl)-[1,1'-biphenyl]-3-yl]-3-oxobutanoate
Other name (1)：
  • 2-Benzyl-2-[2-(phenylethynyl)-3-hexylbiphenyl-5-yl]-3-oxobutanoic acid ethyl ester
Thsaurus map：
Thesaurus Map

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