p-tert-Butylcalix[6]arene hexacarboxylic acid

p-tert-ブチルカリックス[6]アレーン六酢酸

Decided structure
Molecular formula： C₇₈H₉₆O₁₈
Molecular formula furigana： C78-H96-O18
Molecular weight： 1321.608

InChI： InChI=1S/C78H96O18/c1-73(2,3)55-25-43-19-45-27-56(74(4,5)6)29-47(68(45)92-38-62(81)82)21-49-31-58(76(10,11)12)33-51(70(49)94-40-64(85)86)23-53-35-60(78(16,17)18)36-54(72(53)96-42-66(89)90)24-52-34-59(77(13,14)15)32-50(71(52)95-41-65(87)88)22-48-30-57(75(7,8)9)28-46(69(48)93-39-63(83)84)20-44(26-55)67(43)91-37-61(79)80/h25-36H,19-24,37-42H2,1-18H3,(H,79,80)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,89,90)

InChI key： JKLUSBHAELTOGZ-UHFFFAOYSA-N

SMILES： CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc(c1)c2OCC(=O)O)c7OCC(=O)O)C(C)(C)C)c6OCC(=O)O)C(C)(C)C)c5OCC(=O)O)C(C)(C)C)c4OCC(=O)O)C(C)(C)C)c3OCC(=O)O)C(C)(C)C

Systematic name (14)：

5,11,17,23,29,35-ヘキサキスtert-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[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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tert-ブチルヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-ブチルヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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ヘキサ酢酸
2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-ヘキサ-tert-ブチルヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-ブチル-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-tert-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[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-tert-ブチルヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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

1,3′-[2-(2-オキソ-2-ヒドロキシエトキシ)-5-tert-ブチル-1,3-フェニレンビスメチレン]-1′,3′′-[2-(2-オキソ-2-ヒドロキシエトキシ)-5-tert-ブチル-1,3-フェニレンビスメチレン]-1′′,3-[2-(2-オキソ-2-ヒドロキシエトキシ)-5-tert-ブチル-1,3-フェニレンビスメチレン]トリス[2-(2-オキソ-2-ヒドロキシエトキシ)-5-tert-ブチルベンゼン]

1,3-[(2-(2-オキソ-2-ヒドロキシエトキシ)-5-(tert-ブチル)-1,3-フェニレン)ビスメチレンビス(2-(2-オキソ-2-ヒドロキシエトキシ)-5-(tert-ブチル)-1,3-フェニレン)ビスメチレンビス(2-(2-オキソ-2-ヒドロキシエトキシ)-5-(tert-ブチル)-1,3-フェニレン)ビスメチレン]-2-(2-オキソ-2-ヒドロキシエトキシ)-5-(tert-ブチル)ベンゼン

1,3′-メチレン-1′,3′′-メチレン-1′′,3′′′-メチレン-1′′′,3′′′′-メチレン-1′′′′,3′′′′′-メチレン-1′′′′′,3-メチレンヘキサキス[2-(2-オキソ-2-ヒドロキシエトキシ)-5-tert-ブチルベンゼン]

5,11,17,23,29,35-ヘキサ-tert-ブチルヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-ヘキサイルヘキサオキシヘキサ酢酸

2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-ヘキサ-tert-ブチルヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-ヘキサイルヘキサオキシ]ヘキサキス酢酸

2-{[5,11,17,23,29,35-ヘキサ-tert-ブチル-38,39,40,41,42-ペンタキス(カルボキシメトキシ)ヘプタシクロ[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-イル]オキシ}酢酸

2-{[5,11,17,23,29,35-hexa-tert-butyl-38,39,40,41,42-pentakis(carboxymethoxy)heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-octadecaen-37-yl]oxy}acetic acid

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Other name (16)：

5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexakis[carboxymethoxy]heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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
5,11,17,23,29,35-Hexa-tert-butyl-3,7:9,13:15,19:21,25:27,31:33,1-hexamethenocyclohexatriaconta-3,5,9,11,15,17,21,23,27,29,33,35-dodecene-37,38,39,40,41,42-hexylhexaoxyhexaacetic acid
2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-37,38,39,40,41,42-hexylhexakis(oxy)]hexaacetic acid
5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-37,38,39,40,41,42-hexylhexakisoxyhexaacetic acid
p-tert-ブチルカリックス[6]アレーンヘキサカルボン酸

p-tert-Butylcalix[6]arene hexacarboxylic acid

[5,11,17,23,29,35-Hexatert-butylheptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-hexaylhexakis(oxy)]hexaacetic acid

p-tert-ブチルカリックス[6]アレーン六酢酸

p-tert-Butylcalix[6]arene hexakis(acetic acid)

5,11,17,23,29,35-Hexakistert-butyl-37,38,39,40,41,42-hexakis(carboxymethoxy)heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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

[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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]hexaacetic acid

1,3′-[2-(2-Oxo-2-hydroxyethoxy)-5-tert-butyl-1,3-phenylenebismethylene]-1′,3′′-[2-(2-oxo-2-hydroxyethoxy)-5-tert-butyl-1,3-phenylenebismethylene]-1′′,3-[2-(2-oxo-2-hydroxyethoxy)-5-tert-butyl-1,3-phenylenebismethylene]tris[2-(2-oxo-2-hydroxyethoxy)-5-tert-butylbenzene]

1,3-[(2-(2-Oxo-2-hydroxyethoxy)-5-(tert-butyl)-1,3-phenylene)bismethylenebis(2-(2-oxo-2-hydroxyethoxy)-5-(tert-butyl)-1,3-phenylene)bismethylenebis(2-(2-oxo-2-hydroxyethoxy)-5-(tert-butyl)-1,3-phenylene)bismethylene]-2-(2-oxo-2-hydroxyethoxy)-5-(tert-butyl)benzene

1,3′-Methylene-1′,3′′-methylene-1′′,3′′′-methylene-1′′′,3′′′′-methylene-1′′′′,3′′′′′-methylene-1′′′′′,3-methylenehexakis[2-(2-oxo-2-hydroxyethoxy)-5-tert-butylbenzene]

5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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-hexaylhexaoxyhexaacetic acid

2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]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

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