Chem
J-GLOBAL ID：200907081775511389   Nikkaji number：J2.353.422C

[Octahydro-1H-1,4,7-triazonine-1,4,7-triyltris(methylene)tris[(3-oxylato-4,4,5,5-tetramethyl-2-imidazoline-3-ium)-2,1-diyloxy]]radical

[オクタヒドロ-1H-1,4,7-トリアゾニン-1,4,7-トリイルトリス(メチレン)トリス[(3-オキシラト-4,4,5,5-テトラメチル-2-イミダゾリン-3-イウム)-2,1-ジイルオキシ]]ラジカル
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： C30H54N6[N+]3O3[O-]3
Molecular formula furigana： C30-H54-N9-O6
Molecular weight： 636.819
InChI： InChI=1S/C30H54N9O6/c1-25(2)26(3,4)35(41)22(34(25)40)19-31-13-15-32(20-23-36(42)27(5,6)28(7,8)37(23)43)17-18-33(16-14-31)21-24-38(44)29(9,10)30(11,12)39(24)45/h13-21H2,1-12H3
InChI key： WJTPAXZTAALUNN-UHFFFAOYSA-N
SMILES： CC1(C)N([O])C(=[N+]([O-])C1(C)C)CN1CCN(CC2=[N+]([O-])C(C)(C)C(C)(C)N2[O])CCN(CC2=[N+]([O-])C(C)(C)C(C)(C)N2[O])CC1
Systematic name  (2)：
  • [オクタヒドロ-1H-1,4,7-トリアゾニン-1,4,7-トリイルトリス(メチレン)トリス[(3-オキシラト-4,4,5,5-テトラメチル-2-イミダゾリン-3-イウム)-2,1-ジイルオキシ]]ラジカル
  • [[2,2′,2′′-(1,4,7-トリアザシクロノナン-1,4,7-トリイルトリスメチレン)トリス(4,4,5,5-テトラメチル-2-イミダゾリン3-オキシド)]-1,1′,1′′-トリイルトリスオキシ]ラジカル
Other name (2)：
  • [Octahydro-1H-1,4,7-triazonine-1,4,7-triyltris(methylene)tris[(3-oxylato-4,4,5,5-tetramethyl-2-imidazoline-3-ium)-2,1-diyloxy]]radical
  • [[2,2′,2′′-(1,4,7-Triazacyclononane-1,4,7-triyltrismethylene)tris(4,4,5,5-tetramethyl-2-imidazoline 3-oxide)]-1,1′,1′′-triyltrisoxy]radical
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