Chem
J-GLOBAL ID：200907007007088463   Nikkaji number：J541.352D

3-[[(R)-1-(7-Oxooxepan-2α-yl)dodecyl]thio]propionic acid methyl ester

3-[[(R)-1-(7-オキソオキセパン-2α-イル)ドデシル]チオ]プロピオン酸メチル
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： C22H40O4S
Molecular formula furigana： C22-H40-O4-S
Molecular weight： 400.620
InChI： InChI=1S/C22H40O4S/c1-3-4-5-6-7-8-9-10-11-15-20(27-18-17-21(23)25-2)19-14-12-13-16-22(24)26-19/h19-20H,3-18H2,1-2H3/t19-,20+/m0/s1
InChI key： YUQARXJZMLBQJN-VQTJNVASSA-N
SMILES： CCCCCCCCCCC[C@@H](SCCC(=O)OC)[C@@H]1CCCCC(=O)O1
Systematic name  (3)：
  • 3-[[(R)-1-(7-オキソオキセパン-2α-イル)ドデシル]チオ]プロピオン酸メチル
  • メチル 3-{[(1R)-1-[(2S)-7-オキソオキセパン-2-イル]ドデシル]スルファニル}プロパノアート
  • methyl 3-{[(1R)-1-[(2S)-7-oxooxepan-2-yl]dodecyl]sulfanyl}propanoate
Other name (1)：
  • 3-[[(R)-1-(7-Oxooxepan-2α-yl)dodecyl]thio]propionic acid methyl ester
Thsaurus map：
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