Chem
J-GLOBAL ID：200907011671817720   Nikkaji number：J2.597.295C

3-[3,5-Bis(octyloxy)benzyloxy]-5-(methylsulfonyloxy)benzoic acid methyl ester

3-[3,5-ビス(オクチルオキシ)ベンジルオキシ]-5-(メチルスルホニルオキシ)安息香酸メチル
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： C32H48O8S
Molecular formula furigana： C32-H48-O8-S
Molecular weight： 592.790
InChI： InChI=1S/C32H48O8S/c1-5-7-9-11-13-15-17-37-28-19-26(20-29(23-28)38-18-16-14-12-10-8-6-2)25-39-30-21-27(32(33)36-3)22-31(24-30)40-41(4,34)35/h19-24H,5-18,25H2,1-4H3
InChI key： VDRZVOYMIYONNJ-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc(COc2cc(OS(=O)(=O)C)cc(c2)C(=O)OC)cc(OCCCCCCCC)c1
Systematic name  (3)：
  • 3-[3,5-ビス(オクチルオキシ)ベンジルオキシ]-5-(メチルスルホニルオキシ)安息香酸メチル
  • メチル 3-{[3,5-ビス(オクチルオキシ)フェニル]メトキシ}-5-(メタンスルホニルオキシ)ベンゾアート
  • methyl 3-{[3,5-bis(octyloxy)phenyl]methoxy}-5-(methanesulfonyloxy)benzoate
Other name (1)：
  • 3-[3,5-Bis(octyloxy)benzyloxy]-5-(methylsulfonyloxy)benzoic acid methyl ester
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