Chem
J-GLOBAL ID：201507011713308927   Nikkaji number：J3.426.999H

3-(Dodecylthio)-2-[4-(hydroxyimino)-2,5-cyclohexadienylidenemethyl]propanoic acid ethyl ester

3-(ドデシルチオ)-2-[4-(ヒドロキシイミノ)-2,5-シクロヘキサジエニリデンメチル]プロパン酸エチル
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： C24H39NO3S
Molecular formula furigana： C24-H39-N-O3-S
Molecular weight： 421.640
InChI： InChI=1S/C24H39NO3S/c1-3-5-6-7-8-9-10-11-12-13-18-29-20-22(24(26)28-4-2)19-21-14-16-23(25-27)17-15-21/h14-17,19,22,27H,3-13,18,20H2,1-2H3/b21-19-,25-23+
InChI key： FRHPVEZQGVYMRO-OXKNFFOVSA-N
SMILES： CCCCCCCCCCCCSCC(/C=C\1/C=C/C(=N\O)/C=C1)C(=O)OCC
Systematic name  (3)：
  • 3-(ドデシルチオ)-2-[4-(ヒドロキシイミノ)-2,5-シクロヘキサジエニリデンメチル]プロパン酸エチル
  • エチル 3-(ドデシルスルファニル)-2-{[(1E,4E)-4-(ヒドロキシイミノ)シクロヘキサ-2,5-ジエン-1-イリデン]メチル}プロパノアート
  • ethyl 3-(dodecylsulfanyl)-2-{[(1E,4E)-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene]methyl}propanoate
Other name (1)：
  • 3-(Dodecylthio)-2-[4-(hydroxyimino)-2,5-cyclohexadienylidenemethyl]propanoic acid ethyl ester
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