Chem
J-GLOBAL ID：200907010776556098   Nikkaji number：J911.354A

p-tert-Octylcalix[6]arene acetic acid

p-tert-オクチルカリックス[6]アレーン酢酸
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： C102H144O18
Molecular formula furigana： C102-H144-O18
Molecular weight： 1658.256
InChI： InChI=1S/C102H144O18/c1-91(2,3)55-97(19,20)73-37-61-31-63-39-74(98(21,22)56-92(4,5)6)41-65(86(63)116-50-80(105)106)33-67-43-76(100(25,26)58-94(10,11)12)45-69(88(67)118-52-82(109)110)35-71-47-78(102(29,30)60-96(16,17)18)48-72(90(71)120-54-84(113)114)36-70-46-77(101(27,28)59-95(13,14)15)44-68(89(70)119-53-83(111)112)34-66-42-75(99(23,24)57-93(7,8)9)40-64(87(66)117-51-81(107)108)32-62(38-73)85(61)115-49-79(103)104/h37-48H,31-36,49-60H2,1-30H3,(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)
InChI key： MVHINXXLCSECMP-UHFFFAOYSA-N
SMILES： CC(C)(C)CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc(c1)c2OCC(=O)O)c7OCC(=O)O)C(C)(C)CC(C)(C)C)c6OCC(=O)O)C(C)(C)CC(C)(C)C)c5OCC(=O)O)C(C)(C)CC(C)(C)C)c4OCC(=O)O)C(C)(C)CC(C)(C)C)c3OCC(=O)O)C(C)(C)CC(C)(C)C
Systematic name  (20)：
  • [5,11,17,23,29,35-ヘキサキス(1,1,3,3-テトラメチルブチル)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサイルヘキサキスオキシ]六酢酸
  • 2,2′,2′′,2′′′,2′′′′,2′′′′′-[[5,11,17,23,29,35-ヘキサキス(1,1,3,3-テトラメチルブチル)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35,1(37)-オクタデカエン-37,38,39,40,41,42-ヘキサイル]ヘキサオキシ]六酢酸
  • 2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-ヘキサキス(1,1,3,3-テトラメチルブチル)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサイルヘキサキスオキシ]六酢酸
  • 5,11,17,23,29,35-ヘキサ-tert-オクチル-3,7:9,13:15,19:21,25:27,31:33,1-ヘキサメテノシクロヘキサトリアコンタ-3,5,9,11,15,17,21,23,27,29,33,35-ドデカエン-37,38,39,40,41,42-ヘキサイルヘキサオキシ六酢酸
  • 5,11,17,23,29,35-ヘキサキス(1,1,3,3-テトラメチルブチル)-37,38,39,40,41,42-ヘキサキス(カルボキシメトキシ)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン
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Other name (22)：
  • 2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-Hexakis(1,1,3,3-tetramethylbutyl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexaylhexakisoxy]hexakisacetic acid
  • [5,11,17,23,29,35-Hexa-tert-octylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexaylhexaoxy]hexakisacetic acid
  • p-tert-オクチルカリックス[6]アレーン酢酸
  • p-tert-Octylcalix[6]arene acetic acid
  • p-tert-オクチルカリックス[6]アレーンヘキサカルボン酸
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