Chem
J-GLOBAL ID：200907036681679680   Nikkaji number：J1.373.588C

6,8,16,18,26,28,31,32,33-Nonaethyl-5,9:15,19:25,29-trimetheno-1,3,11,13,21,23-hexaazacyclotriacontane-5,7,15,17,25,27-hexene-2,12,22-trithione

6,8,16,18,26,28,31,32,33-ノナエチル-5,9:15,19:25,29-トリメテノ-1,3,11,13,21,23-ヘキサアザシクロトリアコンタン-5,7,15,17,25,27-ヘキサエン-2,12,22-トリチオン
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： C45H66N6S3
Molecular formula furigana： C45-H66-N6-S3
Molecular weight： 787.250
InChI： InChI=1S/C45H66N6S3/c1-10-28-19-29(11-2)38-23-47-44(53)49-25-40-32(14-5)21-33(15-6)42(36(40)18-9)27-51-45(54)50-26-41-31(13-4)20-30(12-3)39(35(41)17-8)24-48-43(52)46-22-37(28)34(38)16-7/h19-21H,10-18,22-27H2,1-9H3,(H2,46,48,52)(H2,47,49,53)(H2,50,51,54)
InChI key： HXBXXDRHSYUSDP-UHFFFAOYSA-N
SMILES： CCc1cc(CC)c2CNC(=S)NCc3c(CC)cc(CC)c(CNC(=S)NCc4c(CC)cc(CC)c(CNC(=S)NCc1c2CC)c4CC)c3CC
Systematic name  (3)：
  • 6,8,16,18,26,28,31,32,33-ノナエチル-5,9:15,19:25,29-トリメテノ-1,3,11,13,21,23-ヘキサアザシクロトリアコンタン-5,7,15,17,25,27-ヘキサエン-2,12,22-トリチオン
  • 8,10,18,20,28,30,31,32,33-ノナエチル-3,5,13,15,23,25-ヘキサアザテトラシクロ[25.3.1.17,11.117,21]トリトリアコンタ-1(31),7,9,11(33),17(32),18,20,27,29-ノナエン-4,14,24-トリチオン
  • 8,10,18,20,28,30,31,32,33-nonaethyl-3,5,13,15,23,25-hexaazatetracyclo[25.3.1.17,11.117,21]tritriaconta-1(31),7,9,11(33),17(32),18,20,27,29-nonaene-4,14,24-trithione
Other name (1)：
  • 6,8,16,18,26,28,31,32,33-Nonaethyl-5,9:15,19:25,29-trimetheno-1,3,11,13,21,23-hexaazacyclotriacontane-5,7,15,17,25,27-hexene-2,12,22-trithione
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