Chem
J-GLOBAL ID：200907001004058824   Nikkaji number：J2.158.560B

4′-(Heptyloxy)biphenyl-4-carboxylic acid 11-[4-(phenylethynyl)phenoxy]undecyl ester

4′-(ヘプチルオキシ)ビフェニル-4-カルボン酸11-[4-(フェニルエチニル)フェノキシ]ウンデシル
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： C45H54O4
Molecular formula furigana： C45-H54-O4
Molecular weight： 658.923
InChI： InChI=1S/C45H54O4/c1-2-3-4-10-16-35-48-44-33-29-41(30-34-44)40-25-27-42(28-26-40)45(46)49-37-18-12-9-7-5-6-8-11-17-36-47-43-31-23-39(24-32-43)22-21-38-19-14-13-15-20-38/h13-15,19-20,23-34H,2-12,16-18,35-37H2,1H3
InChI key： QYPJIJMQSAHZCL-UHFFFAOYSA-N
SMILES： CCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)OCCCCCCCCCCCOc1ccc(cc1)C#Cc1ccccc1
Systematic name  (3)：
  • 4′-(ヘプチルオキシ)ビフェニル-4-カルボン酸11-[4-(フェニルエチニル)フェノキシ]ウンデシル
  • 11-[4-(2-フェニルエチニル)フェノキシ]ウンデシル 4'-(ヘプチルオキシ)-[1,1'-ビフェニル]-4-カルボキシラート
  • 11-[4-(2-phenylethynyl)phenoxy]undecyl 4'-(heptyloxy)-[1,1'-biphenyl]-4-carboxylate
Other name (1)：
  • 4′-(Heptyloxy)biphenyl-4-carboxylic acid 11-[4-(phenylethynyl)phenoxy]undecyl ester
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