Chem
J-GLOBAL ID：200907003693422026   Nikkaji number：J769.382F

4′-Octyloxy-1,1′-biphenyl-4-carboxylic acid 4-[[[(1R,2S)-1-trifluoromethyl-2-methylhexyl]oxy]carbonyl]phenyl ester

4-[4-[4-(オクチルオキシ)フェニル]ベンゾイルオキシ]安息香酸(1R,2S)-1-(トリフルオロメチル)-2-メチルヘキシル
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： C36H43F3O5
Molecular formula furigana： C36-H43-F3-O5
Molecular weight： 612.730
InChI： InChI=1S/C36H43F3O5/c1-4-6-8-9-10-11-25-42-31-21-17-28(18-22-31)27-13-15-29(16-14-27)34(40)43-32-23-19-30(20-24-32)35(41)44-33(36(37,38)39)26(3)12-7-5-2/h13-24,26,33H,4-12,25H2,1-3H3/t26-,33+/m0/s1
InChI key： IWBXGGRHZUTTOS-OOOSNSGVSA-N
SMILES： CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O[C@H]([C@@H](C)CCCC)C(F)(F)F
Systematic name  (4)：
  • 4-[4-[4-(オクチルオキシ)フェニル]ベンゾイルオキシ]安息香酸(1R,2S)-1-(トリフルオロメチル)-2-メチルヘキシル
  • 4′-オクチルオキシ-1,1′-ビフェニル-4-カルボン酸4-[[[(1R,2S)-1-トリフルオロメチル-2-メチルヘキシル]オキシ]カルボニル]フェニル
  • 4-({[(2R,3S)-1,1,1-トリフルオロ-3-メチルヘプタン-2-イル]オキシ}カルボニル)フェニル 4'-(オクチルオキシ)-[1,1'-ビフェニル]-4-カルボキシラート
  • 4-({[(2R,3S)-1,1,1-trifluoro-3-methylheptan-2-yl]oxy}carbonyl)phenyl 4'-(octyloxy)-[1,1'-biphenyl]-4-carboxylate
Other name (1)：
  • 4′-Octyloxy-1,1′-biphenyl-4-carboxylic acid 4-[[[(1R,2S)-1-trifluoromethyl-2-methylhexyl]oxy]carbonyl]phenyl ester
Thsaurus map：
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