Chem
J-GLOBAL ID：200907042073736107   Nikkaji number：J1.927.874C

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

テレフタル酸1-[4-(ヘプチルオキシ)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： C27H27[N+]O6[O-]
Molecular formula furigana： C27-H27-N-O7
Molecular weight： 477.513
InChI： InChI=1S/C27H27NO7/c1-2-3-4-5-6-19-33-23-15-17-25(18-16-23)35-27(30)21-9-7-20(8-10-21)26(29)34-24-13-11-22(12-14-24)28(31)32/h7-18H,2-6,19H2,1H3
InChI key： GENPTYGHYHHYJM-UHFFFAOYSA-N
SMILES： CCCCCCCOc1ccc(OC(=O)c2ccc(cc2)C(=O)Oc2ccc(cc2)[N+](=O)[O-])cc1
Systematic name  (3)：
  • テレフタル酸1-[4-(ヘプチルオキシ)フェニル]4-(4-ニトロフェニル)
  • 1-[4-(ヘプチルオキシ)フェニル] 4-(4-ニトロフェニル) ベンゼン-1,4-ジカルボキシラート
  • 1-[4-(heptyloxy)phenyl] 4-(4-nitrophenyl) benzene-1,4-dicarboxylate
Other name (1)：
  • Terephthalic acid 1-[4-(heptyloxy)phenyl]4-(4-nitrophenyl) ester
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