Chem
J-GLOBAL ID：200907010251975103   Nikkaji number：J2.418.032H

1,3-Bis[1,3-bis(trifluoromethylsulfonyl)-2,3-dihydro-1H-benzoimidazole-2-yl]azulene

1,3-ビス[1,3-ビス(トリフルオロメチルスルホニル)-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-イル]アズレン
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： C28H16F12N4O8S4
Molecular formula furigana： C28-H16-F12-N4-O8-S4
Molecular weight： 892.680
InChI： InChI=1S/C28H16F12N4O8S4/c29-25(30,31)53(45,46)41-19-10-4-5-11-20(19)42(54(47,48)26(32,33)34)23(41)17-14-18(16-9-3-1-2-8-15(16)17)24-43(55(49,50)27(35,36)37)21-12-6-7-13-22(21)44(24)56(51,52)28(38,39)40/h1-14,23-24H
InChI key： KXKPPCQBZBHXDR-UHFFFAOYSA-N
SMILES： FC(F)(F)S(=O)(=O)N1C(N(c2ccccc12)S(=O)(=O)C(F)(F)F)c1cc(C2N(c3ccccc3N2S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c2cccccc12
Systematic name  (3)：
  • 1,3-ビス[1,3-ビス(トリフルオロメチルスルホニル)-2,3-ジヒドロ-1H-ベンゾイミダゾール-2-イル]アズレン
  • 2-[3-(1,3-ジトリフルオロメタンスルホニル-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール-2-イル)アズレン-1-イル]-1,3-ジトリフルオロメタンスルホニル-2,3-ジヒドロ-1H-1,3-ベンゾジアゾール
  • 2-[3-(1,3-ditrifluoromethanesulfonyl-2,3-dihydro-1H-1,3-benzodiazol-2-yl)azulen-1-yl]-1,3-ditrifluoromethanesulfonyl-2,3-dihydro-1H-1,3-benzodiazole
Other name (1)：
  • 1,3-Bis[1,3-bis(trifluoromethylsulfonyl)-2,3-dihydro-1H-benzoimidazole-2-yl]azulene
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