Chem
J-GLOBAL ID:200907000258661389   Nikkaji number:J2.431.774I

3-(4-Methoxyphenyl)-1,5-diphenyl-6,6-diacetoxy-3,6-dihydro-6-bora(IV)-1,2,4,5-tetrazine-1,5-diium

3-(4-メトキシフェニル)-1,5-ジフェニル-6,6-ジアセトキシ-3,6-ジヒドロ-6-ボラ(IV)-1,2,4,5-テトラジン-1,5-ジイウム
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: C24H24BN2[N+]2O5
Molecular formula furigana: C24-H24-B-N4-O5
Molecular weight: 459.290
InChI: InChI=1S/C24H24BN4O5/c1-18(30)33-25(34-19(2)31)28(21-10-6-4-7-11-21)26-24(20-14-16-23(32-3)17-15-20)27-29(25)22-12-8-5-9-13-22/h4-17,24H,1-3H3/q+2
InChI key: KANDHASBSQIXGS-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)C1N=[N+](c2ccccc2)[B](OC(=O)C)(OC(=O)C)[N+](=N1)c1ccccc1
Systematic name  (3):
  • 3-(4-メトキシフェニル)-1,5-ジフェニル-6,6-ジアセトキシ-3,6-ジヒドロ-6-ボラ(IV)-1,2,4,5-テトラジン-1,5-ジイウム
  • 3,3-ビス(アセチルオキシ)-6-(4-メトキシフェニル)-2,4-ジフェニル-3,6-ジヒドロ-1,2λ5,5,5,3λ4-テトラザボリニン-2,4-ビス(イリウム)
  • 3,3-bis(acetyloxy)-6-(4-methoxyphenyl)-2,4-diphenyl-3,6-dihydro-1,2λ5,5,5,3λ4-tetrazaborinine-2,4-bis(ylium)
Other name (1):
  • 3-(4-Methoxyphenyl)-1,5-diphenyl-6,6-diacetoxy-3,6-dihydro-6-bora(IV)-1,2,4,5-tetrazine-1,5-diium
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