Chem
J-GLOBAL ID：200907076593352109   Nikkaji number：J986.653A

p-tert-Octylthiacalix[4]arene

p-tert-オクチルチアカリックス[4]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： C56H80O4S4
Molecular formula furigana： C56-H80-O4-S4
Molecular weight： 945.490
InChI： InChI=1S/C56H80O4S4/c1-49(2,3)29-53(13,14)33-21-37-45(57)38(22-33)62-40-24-35(55(17,18)31-51(7,8)9)26-42(47(40)59)64-44-28-36(56(19,20)32-52(10,11)12)27-43(48(44)60)63-41-25-34(23-39(61-37)46(41)58)54(15,16)30-50(4,5)6/h21-28,57-60H,29-32H2,1-20H3
InChI key： IVBSXMHLRXMXQL-UHFFFAOYSA-N
SMILES： CC(C)(C)CC(C)(C)c1cc2Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc(c1)c2O)c5O)C(C)(C)CC(C)(C)C)c4O)C(C)(C)CC(C)(C)C)c3O)C(C)(C)CC(C)(C)C
Systematic name  (6)：
  • 5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)-2,8,14,20-テトラチアペンタシクロ[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-テトラオール
  • 5,11,17,23-テトラ-tert-オクチル-2,8,14,20-テトラチアペンタシクロ[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-テトラオール
  • 5,11,17,23-テトラtert-オクチル-2,8,14,20-テトラチアペンタシクロ[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-テトラオール
  • 2,6′-チオ-2′,6′′-チオ-2′′,6′′′-チオ-2′′′,6-チオテトラキス(4-tert-オクチルフェノール)
  • 5,11,17,23-テトラキス(2,4,4-トリメチルペンタン-2-イル)-2,8,14,20-テトラチアペンタシクロ[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(26),16,18,21,23-ドデカエン-25,26,27,28-テトラオール
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Other name (6)：
  • p-tert-Octylthiacalix[4]arene
  • 2,6′-Thio-2′,6′′-thio-2′′,6′′′-thio-2′′′,6-thiotetrakis(4-tert-octylphenol)
  • p-tert-オクチルチアカリックス[4]アレーン
  • 5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)-2,8,14,20-tetrathiapentacyclo[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-tetraol
  • 5,11,17,23-Tetra-tert-octyl-2,8,14,20-tetrathiapentacyclo[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-tetraol
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Thsaurus map：
Thesaurus Map

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