p-tert-Octylcalix[8]arene octacarboxylic acid

p-tert-オクチルカリックス[8]アレーンオクタカルボン酸

Decided structure
Molecular formula： C₁₃₆H₁₉₂O₂₄
Molecular formula furigana： C136-H192-O24
Molecular weight： 2211.008

InChI： InChI=1S/C136H192O24/c1-121(2,3)73-129(25,26)97-49-81-41-83-51-98(130(27,28)74-122(4,5)6)53-85(114(83)154-66-106(139)140)43-87-55-100(132(31,32)76-124(10,11)12)57-89(116(87)156-68-108(143)144)45-91-59-102(134(35,36)78-126(16,17)18)61-93(118(91)158-70-110(147)148)47-95-63-104(136(39,40)80-128(22,23)24)64-96(120(95)160-72-112(151)152)48-94-62-103(135(37,38)79-127(19,20)21)60-92(119(94)159-71-111(149)150)46-90-58-101(133(33,34)77-125(13,14)15)56-88(117(90)157-69-109(145)146)44-86-54-99(131(29,30)75-123(7,8)9)52-84(115(86)155-67-107(141)142)42-82(50-97)113(81)153-65-105(137)138/h49-64H,41-48,65-80H2,1-40H3,(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)

InChI key： IXCRXLJUVRDTQS-UHFFFAOYSA-N

SMILES： CC(C)(C)CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc(c1)c2OCC(=O)O)c9OCC(=O)O)C(C)(C)CC(C)(C)C)c8OCC(=O)O)C(C)(C)CC(C)(C)C)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 (9)：

2,2′,2′′,2′′′,2′′′′,2′′′′′,2′′′′′′,2′′′′′′′-[5,11,17,23,29,35,41,47-オクタキス(1,1,3,3-テトラメチルブチル)ノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-49,50,51,52,53,54,55,56-オクタイルオクタキスオキシ]オクタキス酢酸
[5,11,17,23,29,35,41,47-オクタ-tert-オクチルノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-49,50,51,52,53,54,55,56-オクタイルオクタオキシ]オクタキス酢酸
5,11,17,23,29,35,41,47-オクタ-tert-オクチルノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン-49,50,51,52,53,54,55,56-オクタイルオクタキスオキシオクタ酢酸
5,11,17,23,29,35,41,47-オクタキス(1,1,3,3-テトラメチルブチル)-49,50,51,52,53,54,55,56-オクタ(カルボキシメトキシ)ノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン
5,11,17,23,29,35,41,47-オクタ-tert-オクチル-49,50,51,52,53,54,55,56-オクタキス(カルボキシメトキシ)ノナシクロ[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]ヘキサペンタコンタン-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45,47-テトラコサエン

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Other name (9)：

2,2′,2′′,2′′′,2′′′′,2′′′′′,2′′′′′′,2′′′′′′′-[5,11,17,23,29,35,41,47-Octakis(1,1,3,3-tetramethylbutyl)nonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-49,50,51,52,53,54,55,56-octayloctakisoxy]octakisacetic acid
[5,11,17,23,29,35,41,47-Octatert-octylnonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-49,50,51,52,53,54,55,56-octayloctaoxy]octaacetic acid
[5,11,17,23,29,35,41,47-Octa-tert-octylnonacyclo[43.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31.1^33,37.1^39,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene-49,50,51,52,53,54,55,56-octayloctaoxy]octakisacetic acid
p-tert-オクチルカリックス[8]アレーンオクタカルボン酸
p-tert-Octylcalix[8]arene octacarboxylic acid

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