Chem
J-GLOBAL ID:200907006189044982   Nikkaji number:J1.064.929C

11-(Methylthio)undecanoic acid 3,5-dinitrobenzyl ester

11-(メチルチオ)ウンデカン酸3,5-ジニトロベンジル
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: C19H28[N+]2O4[O-]2S
Molecular formula furigana: C19-H28-N2-O6-S
Molecular weight: 412.500
InChI: InChI=1S/C19H28N2O6S/c1-28-11-9-7-5-3-2-4-6-8-10-19(22)27-15-16-12-17(20(23)24)14-18(13-16)21(25)26/h12-14H,2-11,15H2,1H3
InChI key: JSHRGTNEJIVSPO-UHFFFAOYSA-N
SMILES: CSCCCCCCCCCCC(=O)OCc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Systematic name  (3):
  • 11-(メチルチオ)ウンデカン酸3,5-ジニトロベンジル
  • (3,5-ジニトロフェニル)メチル 11-(メチルスルファニル)ウンデカノアート
  • (3,5-dinitrophenyl)methyl 11-(methylsulfanyl)undecanoate
Other name (1):
  • 11-(Methylthio)undecanoic acid 3,5-dinitrobenzyl ester
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