Chem
J-GLOBAL ID：200907000247029540   Nikkaji number：J672.205I

Bis(4-tetradecyloxybenzoic acid)oxybis(4,1-phenylenenitrilomethylidyne-4,1-phenylene) ester

ビス(4-テトラデシルオキシ安息香酸)オキシビス(4,1-フェニレンニトリロメチリジン-4,1-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： C68H84N2O7
Molecular formula furigana： C68-H84-N2-O7
Molecular weight： 1041.426
InChI： InChI=1S/C68H84N2O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-51-73-61-43-31-57(32-44-61)67(71)76-65-39-27-55(28-40-65)53-69-59-35-47-63(48-36-59)75-64-49-37-60(38-50-64)70-54-56-29-41-66(42-30-56)77-68(72)58-33-45-62(46-34-58)74-52-26-24-22-20-18-16-14-12-10-8-6-4-2/h27-50,53-54H,3-26,51-52H2,1-2H3
InChI key： XQHBXLFWKLYJIR-UHFFFAOYSA-N
SMILES： CCCCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(C=Nc2ccc(Oc3ccc(cc3)N=Cc3ccc(OC(=O)c4ccc(OCCCCCCCCCCCCCC)cc4)cc3)cc2)cc1
Systematic name  (3)：
  • ビス(4-テトラデシルオキシ安息香酸)オキシビス(4,1-フェニレンニトリロメチリジン-4,1-フェニレン)
  • 4-{[(4-{4-[({4-[4-(テトラデシルオキシ)ベンゾイルオキシ]フェニル}メチリデン)アミノ]フェノキシ}フェニル)イミノ]メチル}フェニル 4-(テトラデシルオキシ)ベンゾアート
  • 4-{[(4-{4-[({4-[4-(tetradecyloxy)benzoyloxy]phenyl}methylidene)amino]phenoxy}phenyl)imino]methyl}phenyl 4-(tetradecyloxy)benzoate
Other name (1)：
  • Bis(4-tetradecyloxybenzoic acid)oxybis(4,1-phenylenenitrilomethylidyne-4,1-phenylene) ester
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