Chem
J-GLOBAL ID:200907051024283562   Nikkaji number:J1.806.796J

18,22-(4,5-Dinitro-1,2-phenylenebisoxy)[12,16-(4,5-dinitro-1,2-phenylenebisoxy)[2,8,14,20-tetraethyl-6,10-(4,5-dinitro-1,2-phenylenebisoxy)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-dodecene-4,24-diol]]

18,22-(4,5-ジニトロ-1,2-フェニレンビスオキシ)[12,16-(4,5-ジニトロ-1,2-フェニレンビスオキシ)[2,8,14,20-テトラエチル-6,10-(4,5-ジニトロ-1,2-フェニレンビスオキシ)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-4,24-ジオール]]
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: C54H40[N+]6O14[O-]6
Molecular formula furigana: C54-H40-N6-O20
Molecular weight: 1092.936
InChI: InChI=1S/C54H40N6O20/c1-5-23-27-9-29-24(6-2)31-11-33-26(8-4)34-12-32-25(7-3)30-10-28(23)42(62)20-44(30)76-50-14-36(56(65)66)38(58(69)70)16-52(50)78-46(32)22-48(34)80-54-18-40(60(73)74)39(59(71)72)17-53(54)79-47(33)21-45(31)77-51-15-37(57(67)68)35(55(63)64)13-49(51)75-43(29)19-41(27)61/h9-26,61-62H,5-8H2,1-4H3
InChI key: HVPUYHKRHULEPK-UHFFFAOYSA-N
SMILES: CCC1c2cc3C(CC)c4cc5C(CC)c6cc7C(CC)c8cc1c(O)cc8Oc1cc(c(cc1Oc7cc6Oc1cc(c(cc1Oc5cc4Oc1cc(c(cc1Oc3cc2O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3):
  • 18,22-(4,5-ジニトロ-1,2-フェニレンビスオキシ)[12,16-(4,5-ジニトロ-1,2-フェニレンビスオキシ)[2,8,14,20-テトラエチル-6,10-(4,5-ジニトロ-1,2-フェニレンビスオキシ)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-4,24-ジオール]]
  • 41,45,49,52-テトラエチル-8,9,19,20,30,31-ヘキサニトロ-5,12,16,23,27,34-ヘキサオキサウンデカシクロ[36.13.1.04,50.06,11.013,48.015,46.017,22.024,44.026,42.028,33.035,40]ドペンタコンタ-1,3,6,8,10,13(48),14,17,19,21,24(44),25,28,30,32,35(40),36,38,42,46,50-ヘンイコサエン-2,37-ジオール
  • 41,45,49,52-tetraethyl-8,9,19,20,30,31-hexanitro-5,12,16,23,27,34-hexaoxaundecacyclo[36.13.1.04,50.06,11.013,48.015,46.017,22.024,44.026,42.028,33.035,40]dopentaconta-1,3,6,8,10,13(48),14,17,19,21,24(44),25,28,30,32,35(40),36,38,42,46,50-henicosaene-2,37-diol
Other name (1):
  • 18,22-(4,5-Dinitro-1,2-phenylenebisoxy)[12,16-(4,5-dinitro-1,2-phenylenebisoxy)[2,8,14,20-tetraethyl-6,10-(4,5-dinitro-1,2-phenylenebisoxy)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-dodecene-4,24-diol]]
Thsaurus map:

Return to Previous Page