Chem
J-GLOBAL ID：200907064761415407   Nikkaji number：J1.365.733E

4-Nitrobenzoic acid 4-[[4-(octyloxy)phenoxy]carbonyl]phenyl ester

4-(オクチルオキシ)フェニル 4-(4-ニトロベンゾイルオキシ)ベンゾアート
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： C28H29[N+]O6[O-]
Molecular formula furigana： C28-H29-N-O7
Molecular weight： 491.540
InChI： InChI=1S/C28H29NO7/c1-2-3-4-5-6-7-20-34-24-16-18-26(19-17-24)36-28(31)22-10-14-25(15-11-22)35-27(30)21-8-12-23(13-9-21)29(32)33/h8-19H,2-7,20H2,1H3
InChI key： CAJXJBKKULVALY-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(OC(=O)c2ccc(OC(=O)c3ccc(cc3)[N+](=O)[O-])cc2)cc1
Systematic name  (3)：
  • 4-ニトロ安息香酸4-[[4-(オクチルオキシ)フェノキシ]カルボニル]フェニル
  • 4-(オクチルオキシ)フェニル 4-(4-ニトロベンゾイルオキシ)ベンゾアート
  • 4-(octyloxy)phenyl 4-(4-nitrobenzoyloxy)benzoate
Other name (1)：
  • 4-Nitrobenzoic acid 4-[[4-(octyloxy)phenoxy]carbonyl]phenyl ester
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