Chem
J-GLOBAL ID：200907059692050848   Nikkaji number：J1.366.406D

Terephthalic acid 1-[4-(octyloxy)phenyl]4-(4-nitrophenyl) ester

テレフタル酸1-[4-(オクチルオキシ)フェニル]4-(4-ニトロフェニル)
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： 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)22-10-8-21(9-11-22)27(30)35-25-14-12-23(13-15-25)29(32)33/h8-19H,2-7,20H2,1H3
InChI key： OZDJNKDUWPUVQT-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1ccc(OC(=O)c2ccc(cc2)C(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1
Systematic name  (3)：
  • テレフタル酸1-[4-(オクチルオキシ)フェニル]4-(4-ニトロフェニル)
  • 1-(4-ニトロフェニル) 4-[4-(オクチルオキシ)フェニル] ベンゼン-1,4-ジカルボキシラート
  • 1-(4-nitrophenyl) 4-[4-(octyloxy)phenyl] benzene-1,4-dicarboxylate
Other name (1)：
  • Terephthalic acid 1-[4-(octyloxy)phenyl]4-(4-nitrophenyl) ester
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