Chem
J-GLOBAL ID:200907042201254145   Nikkaji number:J2.589.541J

4-[4-[4-(Octyloxy)benzoyloxy]phenylethynyl]benzoic acid dodecyl ester

4-[4-[4-(オクチルオキシ)ベンゾイルオキシ]フェニルエチニル]安息香酸ドデシル
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: C42H54O5
Molecular formula furigana: C42-H54-O5
Molecular weight: 638.889
InChI: InChI=1S/C42H54O5/c1-3-5-7-9-11-12-13-14-16-18-34-46-41(43)37-25-21-35(22-26-37)19-20-36-23-29-40(30-24-36)47-42(44)38-27-31-39(32-28-38)45-33-17-15-10-8-6-4-2/h21-32H,3-18,33-34H2,1-2H3
InChI key: GFNAXLYXRHEUHT-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCOC(=O)c1ccc(cc1)C#Cc1ccc(OC(=O)c2ccc(OCCCCCCCC)cc2)cc1
Systematic name  (3):
  • 4-[4-[4-(オクチルオキシ)ベンゾイルオキシ]フェニルエチニル]安息香酸ドデシル
  • ドデシル 4-(2-{4-[4-(オクチルオキシ)ベンゾイルオキシ]フェニル}エチニル)ベンゾアート
  • dodecyl 4-(2-{4-[4-(octyloxy)benzoyloxy]phenyl}ethynyl)benzoate
Other name (1):
  • 4-[4-[4-(Octyloxy)benzoyloxy]phenylethynyl]benzoic acid dodecyl ester
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