Chem
J-GLOBAL ID:200907018684166944   Nikkaji number:J2.655.729A

8-[2-(2,4-Dinitrobenzyloxy)phenyl]-1,3,5,7-tetramethyl-4,4-difluoro-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide

8-[2-(2,4-ジニトロベンジルオキシ)フェニル]-1,3,5,7-テトラメチル-4,4-ジフルオロ-3a-アゾニア-4a-アザ-4-ボラ(V)-s-インダセン-4-イド
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: C26H23[B-]F2N[N+]3O3[O-]2
Molecular formula furigana: C26-H23-B-F2-N4-O5
Molecular weight: 520.299
InChI: InChI=1S/C26H23BF2N4O5/c1-15-11-17(3)30-25(15)24(26-16(2)12-18(4)31(26)27(30,28)29)21-7-5-6-8-23(21)38-14-19-9-10-20(32(34)35)13-22(19)33(36)37/h5-13H,14H2,1-4H3
InChI key: WWZBIHZSWLWJQP-UHFFFAOYSA-N
SMILES: CC1=CC(=[N+]2C1=C(c1c(C)cc(C)n1[B-]2(F)F)c1ccccc1OCc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
Systematic name  (3):
  • 8-[2-(2,4-ジニトロベンジルオキシ)フェニル]-1,3,5,7-テトラメチル-4,4-ジフルオロ-3a-アゾニア-4a-アザ-4-ボラ(V)-s-インダセン-4-イド
  • 8-{2-[(2,4-ジニトロフェニル)メトキシ]フェニル}-2,2-ジフルオロ-4,6,10,12-テトラメチル-1λ5,3-ジアザ-2-ボラトリシクロ[7.3.0.03,7]ドデカ-1(12),4,6,8,10-ペンタエン-1-イリウム-2-ウイド
  • 8-{2-[(2,4-dinitrophenyl)methoxy]phenyl}-2,2-difluoro-4,6,10,12-tetramethyl-1λ5,3-diaza-2-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
Other name (1):
  • 8-[2-(2,4-Dinitrobenzyloxy)phenyl]-1,3,5,7-tetramethyl-4,4-difluoro-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide
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