Chem
J-GLOBAL ID:200907027390059642   Nikkaji number:J2.187.276H

5′′-[2-[[2-(2,5,8,11-Tetraoxadodecane-1-yl)-3-(1,4,7,10-tetraoxaundecane-1-yl)propoxy]methyl]-3-[2-(2,5,8,11-tetraoxadodecane-1-yl)-3-(1,4,7,10-tetraoxaundecane-1-yl)propoxy]propoxy]-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquebenzene-4,4′′′′-diol

4'-(3-{4'-ヒドロキシ-[1,1'-ビフェニル]-4-イル}-5-{[13-(2,5,8,11-テトラオキサドデカン-1-イル)-17-[13-(2,5,8,11-テトラオキサドデカン-1-イル)-2,5,8,11,15-ペンタオキサヘキサデカン-16-イル]-2,5,8,11,15-ペンタオキサオクタデカン-18-イル]オキシ}フェニル)-[1,1'-ビフェニル]-4-オール
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: C70H102O21
Molecular formula furigana: C70-H102-O21
Molecular weight: 1279.565
InChI: InChI=1S/C70H102O21/c1-73-21-25-77-29-33-81-37-41-85-48-57(49-86-42-38-82-34-30-78-26-22-74-2)52-89-54-59(55-90-53-58(50-87-43-39-83-35-31-79-27-23-75-3)51-88-44-40-84-36-32-80-28-24-76-4)56-91-70-46-66(64-9-5-60(6-10-64)62-13-17-68(71)18-14-62)45-67(47-70)65-11-7-61(8-12-65)63-15-19-69(72)20-16-63/h5-20,45-47,57-59,71-72H,21-44,48-56H2,1-4H3
InChI key: XTMNKUODJOLNRT-UHFFFAOYSA-N
SMILES: COCCOCCOCCOCC(COCCOCCOCCOC)COCC(COCC(COCCOCCOCCOC)COCCOCCOCCOC)COc1cc(cc(c1)c1ccc(cc1)c1ccc(O)cc1)c1ccc(cc1)c1ccc(O)cc1
Systematic name  (3):
  • 5′′-[2-[[2-(2,5,8,11-テトラオキサドデカン-1-イル)-3-(1,4,7,10-テトラオキサウンデカン-1-イル)プロポキシ]メチル]-3-[2-(2,5,8,11-テトラオキサドデカン-1-イル)-3-(1,4,7,10-テトラオキサウンデカン-1-イル)プロポキシ]プロポキシ]-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-キンクエベンゼン-4,4′′′′-ジオール
  • 4'-(3-{4'-ヒドロキシ-[1,1'-ビフェニル]-4-イル}-5-{[13-(2,5,8,11-テトラオキサドデカン-1-イル)-17-[13-(2,5,8,11-テトラオキサドデカン-1-イル)-2,5,8,11,15-ペンタオキサヘキサデカン-16-イル]-2,5,8,11,15-ペンタオキサオクタデカン-18-イル]オキシ}フェニル)-[1,1'-ビフェニル]-4-オール
  • 4'-(3-{4'-hydroxy-[1,1'-biphenyl]-4-yl}-5-{[13-(2,5,8,11-tetraoxadodecan-1-yl)-17-[13-(2,5,8,11-tetraoxadodecan-1-yl)-2,5,8,11,15-pentaoxahexadecan-16-yl]-2,5,8,11,15-pentaoxaoctadecan-18-yl]oxy}phenyl)-[1,1'-biphenyl]-4-ol
Other name (1):
  • 5′′-[2-[[2-(2,5,8,11-Tetraoxadodecane-1-yl)-3-(1,4,7,10-tetraoxaundecane-1-yl)propoxy]methyl]-3-[2-(2,5,8,11-tetraoxadodecane-1-yl)-3-(1,4,7,10-tetraoxaundecane-1-yl)propoxy]propoxy]-1,1′:4′,1′′:3′′,1′′′:4′′′,1′′′′-quinquebenzene-4,4′′′′-diol
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