Chem
J-GLOBAL ID：200907062086566910   Nikkaji number：J758.904B

4-[4′-(Octyloxy)biphenyl-4-ylcarbonyloxy]benzoic acid (1R,2S)-1-(trifluoromethyl)-2-methyloctyl 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-メチルオクチル
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： C38H47F3O5
Molecular formula furigana： C38-H47-F3-O5
Molecular weight： 640.784
InChI： InChI=1S/C38H47F3O5/c1-4-6-8-10-11-13-27-44-33-23-19-30(20-24-33)29-15-17-31(18-16-29)36(42)45-34-25-21-32(22-26-34)37(43)46-35(38(39,40)41)28(3)14-12-9-7-5-2/h15-26,28,35H,4-14,27H2,1-3H3/t28-,35+/m0/s1
InChI key： YGBMOZRWKZWQRB-JADSYQMUSA-N
SMILES： CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)O[C@H]([C@@H](C)CCCCCC)C(F)(F)F
Systematic name  (8)：
  • 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-メチルオクチル
  • 4′-(オクチルオキシ)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-メチルオクチル]オキシカルボニル]フェニル
  • 4-[4′-(オクチルオキシ)ビフェニル-4-イルカルボニルオキシ]安息香酸(1R,2S)-1-(トリフルオロメチル)-2-メチルオクチル
  • 4′-(オクチルオキシ)ビフェニル-4-カルボン酸4-[[[(1R,2S)-2-メチル-1-(トリフルオロメチル)オクチル]オキシ]カルボニル]フェニル
  • 4-[[4′-(オクチルオキシ)-4-ビフェニリルカルボニル]オキシ]安息香酸(1R,2S)-1-(トリフルオロメチル)-2-メチルオクチル
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Other name (5)：
  • 4′-(Octyloxy)biphenyl-4-carboxylic acid 4-[[(1R,2S)-1-(trifluoromethyl)-2-methyloctyl]oxycarbonyl]phenyl ester
  • 4-[4′-(Octyloxy)biphenyl-4-ylcarbonyloxy]benzoic acid (1R,2S)-1-(trifluoromethyl)-2-methyloctyl ester
  • 4′-(Octyloxy)biphenyl-4-carboxylic acid 4-[[[(1R,2S)-2-methyl-1-(trifluoromethyl)octyl]oxy]carbonyl]phenyl ester
  • 4-[[4′-(Octyloxy)-4-biphenylylcarbonyl]oxy]benzoic acid (1R,2S)-1-(trifluoromethyl)-2-methyloctyl ester
  • 4-[[4′-(Octyloxy)-1,1′-biphenyl-4-yl]carbonyloxy]benzoic acid (1R,2S)-1-(trifluoromethyl)-2-methyloctyl ester
Thsaurus map：
Thesaurus Map

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