Chem
J-GLOBAL ID：200907004689528975   Nikkaji number：J1.543.103B

[Phenyl[[2-[formyl(3,4-dimethoxybenzyl)amino]-2-phenylethane-1-ylium]-1-yl]sulfonio]trifluoroboronanion

[フェニル[[2-[ホルミル(3,4-ジメトキシベンジル)アミノ]-2-フェニルエタン-1-イリウム]-1-イル]スルホニオ]トリフルオロほう素アニオン
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： C23[C+]H24[B-]F3NO3[S+]
Molecular formula furigana： C24-H24-B-F3-N-O3-S
Molecular weight： 474.320
InChI： InChI=1S/C24H24BF3NO3S/c1-31-23-14-13-19(15-24(23)32-2)16-29(18-30)22(20-9-5-3-6-10-20)17-33(25(26,27)28)21-11-7-4-8-12-21/h3-15,17-18,22H,16H2,1-2H3/q+1
InChI key： YHDAAXSLMTUPOT-UHFFFAOYSA-N
SMILES： COc1ccc(CN(C=O)C([CH+][S+](c2ccccc2)[B-](F)(F)F)c2ccccc2)cc1OC
Systematic name  (3)：
  • [フェニル[[2-[ホルミル(3,4-ジメトキシベンジル)アミノ]-2-フェニルエタン-1-イリウム]-1-イル]スルホニオ]トリフルオロほう素アニオン
  • 2-{N-[(3,4-ジメトキシフェニル)メチル]ホルムアミド}-2-フェニル-1-[フェニル(トリフルオロ-λ5-ボラニリデン)-λ4-スルファニル]エチリウム
  • 2-{N-[(3,4-dimethoxyphenyl)methyl]formamido}-2-phenyl-1-[phenyl(trifluoro-λ5-boranylidene)-λ4-sulfanyl]ethylium
Other name (1)：
  • [Phenyl[[2-[formyl(3,4-dimethoxybenzyl)amino]-2-phenylethane-1-ylium]-1-yl]sulfonio]trifluoroboronanion
Thsaurus map：
Thesaurus Map

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