Chem
J-GLOBAL ID：200907040642777132   Nikkaji number：J1.728.918G

2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31-Hexadecaethyl-1,4:5,8:9,12:17,20:21,24:25,28-hexaepimino-16,13:29,32-diepinitrilo-1,3,5,7,9,11,14,16,18,20,22,24,26,28,30-cyclodotriacontapentadecene

2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31-ヘキサデカエチル-1,4:5,8:9,12:17,20:21,24:25,28-ヘキサエピミノ-16,13:29,32-ジエピニトリロ-1,3,5,7,9,11,14,16,18,20,22,24,26,28,30-シクロドトリアコンタペンタデカエン
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： C64H86N8
Molecular formula furigana： C64-H86-N8
Molecular weight： 967.448
InChI： InChI=1S/C64H90N8/c1-17-33-34(18-2)50-52-37(21-5)38(22-6)55(67-52)56-41(25-9)42(26-10)59(69-56)60-45(29-13)46(30-14)63(71-60)64-48(32-16)47(31-15)62(72-64)61-44(28-12)43(27-11)58(70-61)57-40(24-8)39(23-7)54(68-57)53-36(20-4)35(19-3)51(66-53)49(33)65-50/h33-36,67-72H,17-32H2,1-16H3/b51-49-,52-50-,54-53-,56-55-,58-57+,60-59-,62-61+,64-63-
InChI key： ASZFTOTUTLEFKX-CWGKIPTESA-N
SMILES： CCc1c(CC)/c/2=C\3/N=C(C4=N/C(=c/5\[nH]/c(=c/6\[nH]/c(=c/7\[nH]/c(=c/8\[nH]/c(=c\9/[nH]/c(=c\1/[nH]2)/c(c9CC)CC)/c(c8CC)CC)/c(c7CC)CC)/c(c6CC)CC)/c(c5CC)CC)/C(C4CC)CC)C(C3CC)CC
Systematic name  (3)：
  • 2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31-ヘキサデカエチル-1,4:5,8:9,12:17,20:21,24:25,28-ヘキサエピミノ-16,13:29,32-ジエピニトリロ-1,3,5,7,9,11,14,16,18,20,22,24,26,28,30-シクロドトリアコンタペンタデカエン
  • 3,4,7,8,11,12,15,16,19,20,23,24,27,28,31,32-ヘキサデカエチル-33,34,35,36,37,38,39,40-オクタアザノナシクロ[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]テトラコンタン-1(32),2,4,6,8,10(38),11,13,15,17,19,21,23,25,27,29(34),30-ヘプタデカエン
  • 3,4,7,8,11,12,15,16,19,20,23,24,27,28,31,32-ヘキサデカエチル-33,34,35,36,37,38,39,40-オクタアザノナシクロ[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]テトラコンタン-1(32),2,4,6(39),7,9,11,13,15,17,19,21,23,25(35),26,28,30-ヘプタデカエン
Other name (3)：
  • 2,3,6,7,10,11,14,15,18,19,22,23,26,27,30,31-Hexadecaethyl-1,4:5,8:9,12:17,20:21,24:25,28-hexaepimino-16,13:29,32-diepinitrilo-1,3,5,7,9,11,14,16,18,20,22,24,26,28,30-cyclodotriacontapentadecene
  • 3,4,7,8,11,12,15,16,19,20,23,24,27,28,31,32-Hexadecaethyl-33,34,35,36,37,38,39,40-octaazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane-1(32),2,4,6,8,10(38),11,13,15,17,19,21,23,25,27,29(34),30-heptadecaene
  • 3,4,7,8,11,12,15,16,19,20,23,24,27,28,31,32-Hexadecaethyl-33,34,35,36,37,38,39,40-octaazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetracontane-1(32),2,4,6(39),7,9,11,13,15,17,19,21,23,25(35),26,28,30-heptadecaene
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