Chem
J-GLOBAL ID：200907050459293326   Nikkaji number：J2.582.483K

Bis[11-(trimethylaminio)undecanoic acid]biphenyl-4,4′-diyl ester

ビス[11-(トリメチルアミニオ)ウンデカン酸]ビフェニル-4,4′-ジイル
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： C40H66[N+]2O4
Molecular formula furigana： C40-H66-N2-O4
Molecular weight： 638.977
InChI： InChI=1S/C40H66N2O4/c1-41(2,3)33-21-17-13-9-7-11-15-19-23-39(43)45-37-29-25-35(26-30-37)36-27-31-38(32-28-36)46-40(44)24-20-16-12-8-10-14-18-22-34-42(4,5)6/h25-32H,7-24,33-34H2,1-6H3/q+2
InChI key： MMZBHXXQFUNPJZ-UHFFFAOYSA-N
SMILES： C[N+](C)(C)CCCCCCCCCCC(=O)Oc1ccc(cc1)c1ccc(OC(=O)CCCCCCCCCC[N+](C)(C)C)cc1
Systematic name  (3)：
  • ビス[11-(トリメチルアミニオ)ウンデカン酸]ビフェニル-4,4′-ジイル
  • トリメチル({11-オキソ-11-[(4'-{[11-(トリメチルアザニウミル)ウンデカノイル]オキシ}-[1,1'-ビフェニル]-4-イル)オキシ]ウンデシル})アザニウム
  • trimethyl({11-oxo-11-[(4'-{[11-(trimethylazaniumyl)undecanoyl]oxy}-[1,1'-biphenyl]-4-yl)oxy]undecyl})azanium
Other name (1)：
  • Bis[11-(trimethylaminio)undecanoic acid]biphenyl-4,4′-diyl ester
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