Chem
J-GLOBAL ID：200907043647141197   Nikkaji number：J886.500K

p-Sulfonatocalix(4)arene

p-スルホナトカリックス[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： C28H20O12[O-]4S4
Molecular formula furigana： C28-H20-O16-S4
Molecular weight： 740.690
InChI： InChI=1S/C28H24O16S4/c29-25-13-1-14-6-22(46(36,37)38)8-16(26(14)30)3-18-10-24(48(42,43)44)12-20(28(18)32)4-19-11-23(47(39,40)41)9-17(27(19)31)2-15(25)7-21(5-13)45(33,34)35/h5-12,29-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)/p-4
InChI key： JFYBCAFLVNKHHG-UHFFFAOYSA-J
SMILES： Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)S(=O)(=O)[O-])c5O)S(=O)(=O)[O-])c4O)S(=O)(=O)[O-])c3O)S(=O)(=O)[O-]
Systematic name  (10)：
  • 25,26,27,28-テトラヒドロキシペンタシクロ[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-テトラスルホナート
  • 25,26,27,28-テトラヒドロキシペンタシクロ[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-テトラスルホン酸アニオン
  • 5,11,17,23-テトラキス(オキシラトスルホニル)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
  • 5,11,17,23-テトラスルホナト-25,26,27,28-テトラヒドロキシペンタシクロ[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-テトラスルホナトペンタシクロ[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
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Other name (13)：
  • p-スルホナトカリックス[4]アレーン
  • p-Sulfonatocalix[4]arene
  • 25,26,27,28-Tetrahydroxypentacyclo[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-tetrasulfonate
  • 25,26,27,28-Tetrahydroxypentacyclo[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-tetrasulfonic acid anion
  • 5,11,17,23-Tetrakis(oxylatosulfonyl)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-tetraol
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