Chem
J-GLOBAL ID:201307019965680964   Nikkaji number:J3.217.430B

2,6-Diethyl-1,3,5,7,8-pentamethyl-4,4-bis(trifluoroacetoxy)-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene

2,6-ジエチル-1,3,5,7,8-ペンタメチル-4,4-ビス(トリフルオロアセトキシ)-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
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: C22H25BF6N[N+]O4
Molecular formula furigana: C22-H25-B-F6-N2-O4
Molecular weight: 506.250
InChI: InChI=1S/C22H25BF6N2O4/c1-8-15-10(3)17-12(5)18-11(4)16(9-2)14(7)31(18)23(30(17)13(15)6,34-19(32)21(24,25)26)35-20(33)22(27,28)29/h8-9H2,1-7H3/q+1
InChI key: MMAUTUIFXXHCHY-UHFFFAOYSA-N
SMILES: CCC1=C(C)C2=C(C)c3c(C)c(CC)c(C)n3[B](OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)[N+]2=C1C
Systematic name  (3):
  • 2,6-ジエチル-1,3,5,7,8-ペンタメチル-4,4-ビス(トリフルオロアセトキシ)-3a-アゾニア-4-ボラ(IV)-4H-4a-アザ-s-インダセン
  • 5,11-ジエチル-4,6,8,10,12-ペンタメチル-2,2-ビス[(2,2,2-トリフルオロアセチル)オキシ]-1λ5,3-ジアザ-2λ4-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
  • 5,11-diethyl-4,6,8,10,12-pentamethyl-2,2-bis[(2,2,2-trifluoroacetyl)oxy]-1λ5,3-diaza-2λ4-boratricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-1-ylium
Other name (1):
  • 2,6-Diethyl-1,3,5,7,8-pentamethyl-4,4-bis(trifluoroacetoxy)-3a-azonia-4-bora(IV)-4H-4a-aza-s-indacene
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