Chem
J-GLOBAL ID：200907075508264739   Nikkaji number：J2.027.030F

p-tert-Octylcalix[6]arene

p-tert-オクチルカリックス[6]アレーン
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： C90H132
Molecular formula furigana： C90-H132
Molecular weight： 1214.046
InChI： InChI=1S/C90H132/c1-79(2,3)55-85(19,20)73-43-61-31-62(44-73)38-64-33-66(48-75(46-64)87(23,24)57-81(7,8)9)40-68-35-70(52-77(50-68)89(27,28)59-83(13,14)15)42-72-36-71(53-78(54-72)90(29,30)60-84(16,17)18)41-69-34-67(49-76(51-69)88(25,26)58-82(10,11)12)39-65-32-63(37-61)45-74(47-65)86(21,22)56-80(4,5)6/h31-36,43-54H,37-42,55-60H2,1-30H3
InChI key： NVGFBVTURDNDBO-UHFFFAOYSA-N
SMILES： CC(C)(C)CC(C)(C)c1cc2Cc3cc(Cc4cc(Cc5cc(Cc6cc(Cc7cc(Cc(c2)c1)cc(c7)C(C)(C)CC(C)(C)C)cc(c6)C(C)(C)CC(C)(C)C)cc(c5)C(C)(C)CC(C)(C)C)cc(c4)C(C)(C)CC(C)(C)C)cc(c3)C(C)(C)CC(C)(C)C
Systematic name  (3)：
  • 5,11,17,23,29,35-ヘキサ-tert-オクチルヘプタシクロ[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
  • 5,11,17,23,29,35-ヘキサキス(2,4,4-トリメチルペンタン-2-イル)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(38),28,30,33,35-オクタデカエン
  • 5,11,17,23,29,35-hexakis(2,4,4-trimethylpentan-2-yl)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(38),28,30,33,35-octadecaene
Other name (3)：
  • 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-octadecene
  • p-tert-オクチルカリックス[6]アレーン
  • p-tert-Octylcalix[6]arene
Thsaurus map：
Thesaurus Map

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