Chem
J-GLOBAL ID：200907019692254719   Nikkaji number：J986.654J

p-tert-Butylsulfinylcalix[4]arene

p-tert-ブチルスルフィニルカリックス[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： C40H48O4[O-]4[S+]4
Molecular formula furigana： C40-H48-O8-S4
Molecular weight： 785.060
InChI： InChI=1S/C40H48O8S4/c1-37(2,3)21-13-25-33(41)26(14-21)50(46)28-16-23(39(7,8)9)18-30(35(28)43)52(48)32-20-24(40(10,11)12)19-31(36(32)44)51(47)29-17-22(38(4,5)6)15-27(34(29)42)49(25)45/h13-20,41-44H,1-12H3
InChI key： KJEYZDTUXRGVPH-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2[S+]([O-])c3cc(cc([S+]([O-])c4cc(cc([S+]([O-])c5cc(cc([S+]([O-])c(c1)c2O)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C
Systematic name  (9)：
  • 5,11,17,23-テトラ-tert-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2,8,14,20-テトラオキシド
  • 5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラヒドロキシ-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2,8,14,20-テトラオキシド
  • 5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラヒドロキシ-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-2,8,14,20-テトラオキシド
  • 5,11,17,23-テトラtert-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2,8,14,20-テトラオキシド
  • 2,8,14,20-テトラチア-5,11,17,23-テトラ-tert-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-テトラオール2,8,14,20-テトラオキシド
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Other name (9)：
  • 25,26,27,28-Tetrahydroxy-5,11,17,23-tetra-tert-butyl-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 2,8,14,20-tetraoxide
  • 5,11,17,23-Tetra-tert-butyl-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 2,8,14,20-tetrakisoxide
  • p-tert-ブチルスルフィニルカリックス[4]アレーン
  • p-tert-Butylsulfinylcalix[4]arene
  • 5,11,17,23-Tetra-tert-butyl-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 2,8,14,20-tetraoxide
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