Chem
J-GLOBAL ID：200907049898154890   Nikkaji number：J2.597.297J

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

3-[3,5-ビス(オクチルオキシ)ベンジルオキシ]-5-(ベンジルオキシ)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： C38H52O6
Molecular formula furigana： C38-H52-O6
Molecular weight： 604.828
InChI： InChI=1S/C38H52O6/c1-4-6-8-10-12-17-21-41-34-23-32(24-35(27-34)42-22-18-13-11-9-7-5-2)30-44-37-26-33(38(39)40-3)25-36(28-37)43-29-31-19-15-14-16-20-31/h14-16,19-20,23-28H,4-13,17-18,21-22,29-30H2,1-3H3
InChI key： XYWYTWMOIDOXQZ-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1cc(COc2cc(OCc3ccccc3)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-(ベンジルオキシ)安息香酸メチル
  • メチル 3-(ベンジルオキシ)-5-{[3,5-ビス(オクチルオキシ)フェニル]メトキシ}ベンゾアート
  • methyl 3-(benzyloxy)-5-{[3,5-bis(octyloxy)phenyl]methoxy}benzoate
Other name (1)：
  • 3-[3,5-Bis(octyloxy)benzyloxy]-5-(benzyloxy)benzoic acid methyl ester
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