Chem
J-GLOBAL ID:200907073885102708   Nikkaji number:J2.192.492J

4-[[3,4,5-Tris(hexadecyloxy)benzoyl]oxy]benzoic acid 4-[[4-[[5-[[2-[2-(heptafluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-2,3,3,3-tetrafluoropropoxy]carbonyl]pentyl]oxy]benzoyl]oxy]phenyl ester

4-[[3,4,5-トリス(ヘキサデシルオキシ)ベンゾイル]オキシ]安息香酸4-[[4-[[5-[[2-[2-(ヘプタフルオロプロポキシ)-1,1,2,3,3,3-ヘキサフルオロプロポキシ]-2,3,3,3-テトラフルオロプロポキシ]カルボニル]ペンチル]オキシ]ベンゾイル]オキシ]フェニル
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: C90H125F17O14
Molecular formula furigana: C90-H125-F17-O14
Molecular weight: 1753.949
InChI: InChI=1S/C90H125F17O14/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-45-63-113-76-66-71(67-77(114-64-46-41-38-35-32-29-26-23-20-17-14-11-8-5-2)79(76)115-65-47-42-39-36-33-30-27-24-21-18-15-12-9-6-3)82(111)119-73-56-52-70(53-57-73)81(110)118-75-60-58-74(59-61-75)117-80(109)69-50-54-72(55-51-69)112-62-48-43-44-49-78(108)116-68-83(91,86(95,96)97)120-90(106,107)85(94,88(101,102)103)121-89(104,105)84(92,93)87(98,99)100/h50-61,66-67H,4-49,62-65,68H2,1-3H3
InChI key: HMFYKTWABYAAGB-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCCCCCOc1cc(cc(OCCCCCCCCCCCCCCCC)c1OCCCCCCCCCCCCCCCC)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCC(=O)OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)cc2)cc1
Systematic name  (3):
  • 4-[[3,4,5-トリス(ヘキサデシルオキシ)ベンゾイル]オキシ]安息香酸4-[[4-[[5-[[2-[2-(ヘプタフルオロプロポキシ)-1,1,2,3,3,3-ヘキサフルオロプロポキシ]-2,3,3,3-テトラフルオロプロポキシ]カルボニル]ペンチル]オキシ]ベンゾイル]オキシ]フェニル
  • 4-[(4-{4-[(6-オキソ-6-{2,3,3,3-テトラフルオロ-2-[1,1,2,3,3,3-ヘキサフルオロ-2-(1,1,2,2,3,3,3-ヘプタフルオロプロポキシ)プロポキシ]プロポキシ}ヘキシル)オキシ]ベンゾイルオキシ}フェノキシ)カルボニル]フェニル 3,4,5-トリス(ヘキサデシルオキシ)ベンゾアート
  • 4-[(4-{4-[(6-oxo-6-{2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy}hexyl)oxy]benzoyloxy}phenoxy)carbonyl]phenyl 3,4,5-tris(hexadecyloxy)benzoate
Other name (1):
  • 4-[[3,4,5-Tris(hexadecyloxy)benzoyl]oxy]benzoic acid 4-[[4-[[5-[[2-[2-(heptafluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-2,3,3,3-tetrafluoropropoxy]carbonyl]pentyl]oxy]benzoyl]oxy]phenyl ester
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