Chem
J-GLOBAL ID：200907084292731891   Nikkaji number：J670.297J

p-Sulfonatocalix(6)arene

p-スルホナトカリックス[6]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： C42H30O18[O-]6S6
Molecular formula furigana： C42-H30-O24-S6
Molecular weight： 1111.040
InChI： InChI=1S/C42H36O24S6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/p-6
InChI key： BXOUPTJVBGEDIR-UHFFFAOYSA-H
SMILES： Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)S(=O)(=O)[O-])c7O)S(=O)(=O)[O-])c6O)S(=O)(=O)[O-])c5O)S(=O)(=O)[O-])c4O)S(=O)(=O)[O-])c3O)S(=O)(=O)[O-]
Systematic name  (9)：
  • 37,38,39,40,41,42-ヘキサヒドロキシ-5,11,17,23,29,35-ヘキサスルホナトヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]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-ヘキサスルホナト-37,38,39,40,41,42-ヘキサヒドロキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]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-ヘキサスルホナトヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]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-ヘキサオール
  • 37,38,39,40,41,42-ヘキサヒドロキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]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-ヘキサスルホン酸アニオン
  • 37,38,39,40,41,42-ヘキサヒドロキシヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]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-ヘキサキススルホナート
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Other name (11)：
  • p-スルホナトカリックス[6]アレーン
  • p-Sulfonatocalix[6]arene
  • 37,38,39,40,41,42-Hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]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-hexasulfonate
  • 37,38,39,40,41,42-Hexahydroxy-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]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-hexasulfonate
  • 37,38,39,40,41,42-Hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]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-hexakissulfonate
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