Chem
J-GLOBAL ID：200907084288140064   Nikkaji number：J1.269.290K

12-Tridecenoic acid 2-nitrobenzyl ester

12-トリデセン酸2-ニトロベンジル
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： C20H29[N+]O3[O-]
Molecular formula furigana： C20-H29-N-O4
Molecular weight： 347.455
InChI： InChI=1S/C20H29NO4/c1-2-3-4-5-6-7-8-9-10-11-16-20(22)25-17-18-14-12-13-15-19(18)21(23)24/h2,12-15H,1,3-11,16-17H2
InChI key： MIRNXLKFGQBAIC-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccccc1COC(=O)CCCCCCCCCCC=C
Systematic name  (3)：
  • 12-トリデセン酸2-ニトロベンジル
  • (2-ニトロフェニル)メチル トリデカ-12-エノアート
  • (2-nitrophenyl)methyl tridec-12-enoate
Other name (1)：
  • 12-Tridecenoic acid 2-nitrobenzyl ester
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