Chem
J-GLOBAL ID：200907007966413675   Nikkaji number：J2.083.481A

p-Nitrocalix[6]arene

p-ニトロカリックス[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： C42H30[N+]6O12[O-]6
Molecular formula furigana： C42-H30-N6-O18
Molecular weight： 906.726
InChI： InChI=1S/C42H30N6O18/c49-37-20-3-19-1-2-36(48(65)66)35(42(19)54)18-29-17-34(47(63)64)16-28(41(29)53)7-27-15-33(46(61)62)14-26(40(27)52)6-25-13-32(45(59)60)12-24(39(25)51)5-23-11-31(44(57)58)10-22(38(23)50)4-21(37)9-30(8-20)43(55)56/h1-2,8-17,49-54H,3-7,18H2
InChI key： HQFOJEPOOGAURL-UHFFFAOYSA-N
SMILES： Oc1c2Cc3ccc(c(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[N+](=O)[O-])c7O)[N+](=O)[O-])c6O)[N+](=O)[O-])c5O)[N+](=O)[O-])c4O)[N+](=O)[O-])c3O)[N+](=O)[O-]
Systematic name  (3)：
  • 5,11,17,23,30,35-ヘキサニトロヘプタシクロ[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
  • 5,11,17,23,29,36-ヘキサニトロヘプタシクロ[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
  • 5,11,17,23,29,36-hexanitroheptacyclo[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-octadecaene-37,38,39,40,41,42-hexol
Other name (3)：
  • 5,11,17,23,30,35-Hexanitroheptacyclo[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-37,38,39,40,41,42-hexol
  • p-ニトロカリックス[6]アレーン
  • p-Nitrocalix[6]arene
Thsaurus map：
Thesaurus Map

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