Chem
J-GLOBAL ID:200907036430716144   Nikkaji number:J1.652.933H

Bis[4-[[[3-fluoro-4-(dodecyloxy)phenyl]imino]methyl]benzoic acid]4-cyano-1,3-phenylene ester

ビス[4-[[[3-フルオロ-4-(ドデシルオキシ)フェニル]イミノ]メチル]安息香酸]4-シアノ-1,3-フェニレン
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: C59H69F2N3O6
Molecular formula furigana: C59-H69-F2-N3-O6
Molecular weight: 954.213
InChI: InChI=1S/C59H69F2N3O6/c1-3-5-7-9-11-13-15-17-19-21-37-67-55-35-32-50(39-53(55)60)63-43-45-23-27-47(28-24-45)58(65)69-52-34-31-49(42-62)57(41-52)70-59(66)48-29-25-46(26-30-48)44-64-51-33-36-56(54(61)40-51)68-38-22-20-18-16-14-12-10-8-6-4-2/h23-36,39-41,43-44H,3-22,37-38H2,1-2H3
InChI key: GNHJNYIKIPYUSQ-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCOc1ccc(cc1F)N=Cc1ccc(cc1)C(=O)Oc1ccc(C#N)c(OC(=O)c2ccc(C=Nc3ccc(OCCCCCCCCCCCC)c(F)c3)cc2)c1
Systematic name  (3):
  • ビス[4-[[[3-フルオロ-4-(ドデシルオキシ)フェニル]イミノ]メチル]安息香酸]4-シアノ-1,3-フェニレン
  • 4-シアノ-3-[4-({[4-(ドデシルオキシ)-3-フルオロフェニル]イミノ}メチル)ベンゾイルオキシ]フェニル 4-({[4-(ドデシルオキシ)-3-フルオロフェニル]イミノ}メチル)ベンゾアート
  • 4-cyano-3-[4-({[4-(dodecyloxy)-3-fluorophenyl]imino}methyl)benzoyloxy]phenyl 4-({[4-(dodecyloxy)-3-fluorophenyl]imino}methyl)benzoate
Other name (1):
  • Bis[4-[[[3-fluoro-4-(dodecyloxy)phenyl]imino]methyl]benzoic acid]4-cyano-1,3-phenylene ester
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