Chem
J-GLOBAL ID:200907044879866437   Nikkaji number:J587.742C

4,4′,4′′-(1,3,5-Benzenetriyl)tris(N-nitroso-3-propylsydnone imine-3-ium)

4,4′,4′′-(1,3,5-ベンゼントリイル)トリス(N-ニトロソ-3-プロピルシドノンイミン-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: C21H24N6[N-]3[N+]3O6
Molecular formula furigana: C21-H24-N12-O6
Molecular weight: 540.501
InChI: InChI=1S/C21H24N12O6/c1-4-7-31-16(19(22-25-34)37-28-31)13-10-14(17-20(23-26-35)38-29-32(17)8-5-2)12-15(11-13)18-21(24-27-36)39-30-33(18)9-6-3/h10-12H,4-9H2,1-3H3
InChI key: XMOUNFQIMHCQMG-UHFFFAOYSA-N
SMILES: CCC[n+]1noc([N-]N=O)c1c1cc(cc(c1)c1c([N-]N=O)on[n+]1CCC)c1c([N-]N=O)on[n+]1CCC
Systematic name  (3):
  • 4,4′,4′′-(1,3,5-ベンゼントリイル)トリス(N-ニトロソ-3-プロピルシドノンイミン-3-イウム)
  • 4-{3,5-ビス[5-(ニトロソアザニジル)-3-プロピル-1,2,3-オキサジアゾール-3-イウム-4-イル]フェニル}-5-(ニトロソアザニジル)-3-プロピル-1,2,3-オキサジアゾール-3-イウム
  • 4-{3,5-bis[5-(nitrosoazanidyl)-3-propyl-1,2,3-oxadiazol-3-ium-4-yl]phenyl}-5-(nitrosoazanidyl)-3-propyl-1,2,3-oxadiazol-3-ium
Other name (1):
  • 4,4′,4′′-(1,3,5-Benzenetriyl)tris(N-nitroso-3-propylsydnone imine-3-ium)
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