Chem
J-GLOBAL ID:200907003710658195   Nikkaji number:J2.628.679D

4-[[(S)-1-Methylheptyl]oxy]benzoic acid 2-(dodecylthio)-1,3,4-oxadiazole-5-yl ester

4-[[(S)-1-メチルヘプチル]オキシ]安息香酸2-(ドデシルチオ)-1,3,4-オキサジアゾール-5-イル
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: C29H46N2O4S
Molecular formula furigana: C29-H46-N2-O4-S
Molecular weight: 518.760
InChI: InChI=1S/C29H46N2O4S/c1-4-6-8-10-11-12-13-14-15-17-23-36-29-31-30-28(35-29)34-27(32)25-19-21-26(22-20-25)33-24(3)18-16-9-7-5-2/h19-22,24H,4-18,23H2,1-3H3/t24-/m0/s1
InChI key: MSKXZFZAOKRYKP-DEOSSOPVSA-N
SMILES: CCCCCCCCCCCCSc1nnc(OC(=O)c2ccc(O[C@@H](C)CCCCCC)cc2)o1
Systematic name  (3):
  • 4-[[(S)-1-メチルヘプチル]オキシ]安息香酸2-(ドデシルチオ)-1,3,4-オキサジアゾール-5-イル
  • 5-(ドデシルスルファニル)-1,3,4-オキサジアゾール-2-イル 4-[(2S)-オクタン-2-イルオキシ]ベンゾアート
  • 5-(dodecylsulfanyl)-1,3,4-oxadiazol-2-yl 4-[(2S)-octan-2-yloxy]benzoate
Other name (1):
  • 4-[[(S)-1-Methylheptyl]oxy]benzoic acid 2-(dodecylthio)-1,3,4-oxadiazole-5-yl ester
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