Chem
J-GLOBAL ID：200907010079607695
Nikkaji number：J689.151I
p-tert-Octylcalix[4]arene acetic acid
p-tert-オクチルカリックス[4]アレーン酢酸
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
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
Molecular formula： C68H96O12
Molecular formula furigana： C68-H96-O12
Molecular weight： 1105.504
InChI：
InChI=1S/C68H96O12/c1-61(2,3)37-65(13,14)49-25-41-21-43-27-50(66(15,16)38-62(4,5)6)29-45(58(43)78-34-54(71)72)23-47-31-52(68(19,20)40-64(10,11)12)32-48(60(47)80-36-56(75)76)24-46-30-51(67(17,18)39-63(7,8)9)28-44(59(46)79-35-55(73)74)22-42(26-49)57(41)77-33-53(69)70/h25-32H,21-24,33-40H2,1-20H3,(H,69,70)(H,71,72)(H,73,74)(H,75,76)
InChI key：
UBFQBEOHRGUPMD-UHFFFAOYSA-N
SMILES：
CC(C)(C)CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCC(=O)O)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 (28)：
- [5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトライルテトラオキシ]四酢酸
- 2,2′,2′′,2′′′-[5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)-ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトライルテトラオキシ]テトラキス(酢酸)
- 25,26,27,28-テトラキス(カルボキシメトキシ)-5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
- [5,11,17,23-テトラ-tert-オクチルペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトライルテトラオキシ]四酢酸
- 2,2′,2′′,2′′′-[[5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-3,5,7(28),9,11,13(27),15,17,19(26),21,23,1(25)-ドデカエン-25,26,27,28-テトライル]テトラオキシ]四酢酸
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- [5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrayltetraoxy]tetraacetic acid
- 2,2′,2′′,2′′′-[5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrayltetraoxy]tetrakis(acetic acid)
- 25,26,27,28-Tetrakis(carboxymethoxy)-5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene
- [5,11,17,23-Tetra-tert-octylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrayltetraoxy]tetraacetic acid
- 2,2′,2′′,2′′′-[[5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-3,5,7(28),9,11,13(27),15,17,19(26),21,23,1(25)-dodecaene-25,26,27,28-tetrayl]tetraoxy]tetraacetic acid
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