Chem
J-GLOBAL ID：200907033644836164   Nikkaji number：J254.088F

[1,2-Dihydroxy-1,2-dimethylethylenebis[(4,1-phenylene)oxy]bis(trimethylene)]bis(trimethylaminium)

[1,2-ジヒドロキシ-1,2-ジメチルエチレンビス[(4,1-フェニレン)オキシ]ビス(トリメチレン)]ビス(トリメチルアミニウム)
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： C28H46[N+]2O4
Molecular formula furigana： C28-H46-N2-O4
Molecular weight： 474.685
InChI： InChI=1S/C28H46N2O4/c1-27(31,23-11-15-25(16-12-23)33-21-9-19-29(3,4)5)28(2,32)24-13-17-26(18-14-24)34-22-10-20-30(6,7)8/h11-18,31-32H,9-10,19-22H2,1-8H3/q+2
InChI key： JKIZXGSZFOUAAJ-UHFFFAOYSA-N
SMILES： CC(O)(c1ccc(OCCC[N+](C)(C)C)cc1)C(C)(O)c1ccc(OCCC[N+](C)(C)C)cc1
Systematic name  (3)：
  • [1,2-ジヒドロキシ-1,2-ジメチルエチレンビス[(4,1-フェニレン)オキシ]ビス(トリメチレン)]ビス(トリメチルアミニウム)
  • {3-[4-(2,3-ジヒドロキシ-3-{4-[3-(トリメチルアザニウミル)プロポキシ]フェニル}ブタン-2-イル)フェノキシ]プロピル}トリメチルアザニウム
  • {3-[4-(2,3-dihydroxy-3-{4-[3-(trimethylazaniumyl)propoxy]phenyl}butan-2-yl)phenoxy]propyl}trimethylazanium
Other name (1)：
  • [1,2-Dihydroxy-1,2-dimethylethylenebis[(4,1-phenylene)oxy]bis(trimethylene)]bis(trimethylaminium)
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