Chem
J-GLOBAL ID：201707012389795187   Nikkaji number：J3.626.318K

4,4′-[9,10-Bis[3,5-di(hydroxymethyl)-4-dodecyloxyphenylethynyl]anthracene-2,7-diyl]bis(2,6-ditert-butylphenol)

4,4′-[9,10-ビス[3,5-ジ(ヒドロキシメチル)-4-ドデシルオキシフェニルエチニル]アントラセン-2,7-ジイル]ビス(2,6-ジtert-ブチルフェノール)
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： C86H114O8
Molecular formula furigana： C86-H114-O8
Molecular weight： 1275.850
InChI： InChI=1S/C86H114O8/c1-15-17-19-21-23-25-27-29-31-33-43-93-81-65(55-87)45-59(46-66(81)56-88)35-39-69-70-41-37-61(63-51-75(83(3,4)5)79(91)76(52-63)84(6,7)8)49-73(70)72(74-50-62(38-42-71(69)74)64-53-77(85(9,10)11)80(92)78(54-64)86(12,13)14)40-36-60-47-67(57-89)82(68(48-60)58-90)94-44-34-32-30-28-26-24-22-20-18-16-2/h37-38,41-42,45-54,87-92H,15-34,43-44,55-58H2,1-14H3
InChI key： BYMSHJDVHVWKLX-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCOc1c(CO)cc(cc1CO)C#Cc1c2ccc(cc2c(C#Cc2cc(CO)c(OCCCCCCCCCCCC)c(CO)c2)c2cc(ccc12)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)c1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 4,4′-[9,10-ビス[3,5-ジ(ヒドロキシメチル)-4-ドデシルオキシフェニルエチニル]アントラセン-2,7-ジイル]ビス(2,6-ジtert-ブチルフェノール)
  • 2,6-ジ-tert-ブチル-4-[7-(3,5-ジ-tert-ブチル-4-ヒドロキシフェニル)-9,10-ビス({2-[4-(ドデシルオキシ)-3,5-ビス(ヒドロキシメチル)フェニル]エチニル})アントラセン-2-イル]フェノール
  • 2,6-di-tert-butyl-4-[7-(3,5-di-tert-butyl-4-hydroxyphenyl)-9,10-bis({2-[4-(dodecyloxy)-3,5-bis(hydroxymethyl)phenyl]ethynyl})anthracen-2-yl]phenol
Other name (1)：
  • 4,4′-[9,10-Bis[3,5-di(hydroxymethyl)-4-dodecyloxyphenylethynyl]anthracene-2,7-diyl]bis(2,6-ditert-butylphenol)
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