Chem
J-GLOBAL ID:200907018664314831   Nikkaji number:J546.324F

4,4′,4′′-(1,3,5-Benzenetriyl)tris[3-pentyl-5-amino-1,2,3-oxadiazol-3-ium]

4,4′,4′′-(1,3,5-ベンゼントリイル)トリス[3-ペンチル-5-アミノ-1,2,3-オキサジアゾール-3-イウム]
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: C27H42N6[N+]3O3
Molecular formula furigana: C27-H42-N9-O3
Molecular weight: 540.691
InChI: InChI=1S/C27H42N9O3/c1-4-7-10-13-34-22(25(28)37-31-34)19-16-20(23-26(29)38-32-35(23)14-11-8-5-2)18-21(17-19)24-27(30)39-33-36(24)15-12-9-6-3/h16-18H,4-15,28-30H2,1-3H3/q+3
InChI key: YYVYQFGQTCDDBS-UHFFFAOYSA-N
SMILES: CCCCC[n+]1noc(N)c1c1cc(cc(c1)c1c(N)on[n+]1CCCCC)c1c(N)on[n+]1CCCCC
Systematic name  (3):
  • 4,4′,4′′-(1,3,5-ベンゼントリイル)トリス[3-ペンチル-5-アミノ-1,2,3-オキサジアゾール-3-イウム]
  • 5-アミノ-4-[3,5-ビス(5-アミノ-3-ペンチル-1,2,3-オキサジアゾール-3-イウム-4-イル)フェニル]-3-ペンチル-1,2,3-オキサジアゾール-3-イウム
  • 5-amino-4-[3,5-bis(5-amino-3-pentyl-1,2,3-oxadiazol-3-ium-4-yl)phenyl]-3-pentyl-1,2,3-oxadiazol-3-ium
Other name (1):
  • 4,4′,4′′-(1,3,5-Benzenetriyl)tris[3-pentyl-5-amino-1,2,3-oxadiazol-3-ium]
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