Chem
J-GLOBAL ID:200907027556672780   Nikkaji number:J1.494.072C

(2R)-2-(2,4-Dinitrophenoxy)-4aα,5,6,7,8,8aβ-hexahydro-(4,4,8a-2H3)-4H-1,3,2-benzodioxaphosphorin 2-oxide

(2R,4aR,8aS)-2-(2,4-ジニトロフェノキシ)-オクタヒドロ(4,4,8a-2H3)-1,3,2-ベンゾジオキサホスフィニン-2-イウム-2-オラート
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: C13H12[2H]3[N+]2O5[O-]3[P+]
Molecular formula furigana: C13-H15-N2-O8-P
Molecular weight: 361.261
InChI: InChI=1S/C13H15N2O8P/c16-14(17)10-5-6-13(11(7-10)15(18)19)23-24(20)21-8-9-3-1-2-4-12(9)22-24/h5-7,9,12H,1-4,8H2/t9-,12+,24-/m1/s1/i8D2,12D
InChI key: VYFPDFBDFSDDDF-CITNSTCFSA-N
SMILES: C1([2H])([2H])O[P@@+]([O-])(Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])O[C@@]2([2H])CCCC[C@H]12
Systematic name  (3):
  • (2R)-2-(2,4-ジニトロフェノキシ)-4aα,5,6,7,8,8aβ-ヘキサヒドロ-(4,4,8a-2H3)-4H-1,3,2-ベンゾジオキサホスホリン2-オキシド
  • (2R,4aR,8aS)-2-(2,4-ジニトロフェノキシ)-オクタヒドロ(4,4,8a-2H3)-1,3,2-ベンゾジオキサホスフィニン-2-イウム-2-オラート
  • (2R,4aR,8aS)-2-(2,4-dinitrophenoxy)-octahydro(4,4,8a-2H3)-1,3,2-benzodioxaphosphinin-2-ium-2-olate
Other name (1):
  • (2R)-2-(2,4-Dinitrophenoxy)-4aα,5,6,7,8,8aβ-hexahydro-(4,4,8a-2H3)-4H-1,3,2-benzodioxaphosphorin 2-oxide
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