Chem
J-GLOBAL ID：201107006134252711   Nikkaji number：J2.912.814F

(S)-3-Methyl-3-(4-chlorophenyl)-5-phenylpentanoic acid 2,6-dimethylphenyl ester

(S)-3-メチル-3-(4-クロロフェニル)-5-フェニルペンタン酸2,6-ジメチルフェニル
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： C26H27ClO2
Molecular formula furigana： C26-H27-CL-O2
Molecular weight： 406.950
InChI： InChI=1S/C26H27ClO2/c1-19-8-7-9-20(2)25(19)29-24(28)18-26(3,22-12-14-23(27)15-13-22)17-16-21-10-5-4-6-11-21/h4-15H,16-18H2,1-3H3/t26-/m0/s1
InChI key： SPRZTEPLEDCHIH-SANMLTNESA-N
SMILES： Cc1cccc(C)c1OC(=O)C[C@](C)(CCc1ccccc1)c1ccc(Cl)cc1
Systematic name  (3)：
  • (S)-3-メチル-3-(4-クロロフェニル)-5-フェニルペンタン酸2,6-ジメチルフェニル
  • 2,6-ジメチルフェニル (3S)-3-(4-クロロフェニル)-3-メチル-5-フェニルペンタノアート
  • 2,6-dimethylphenyl (3S)-3-(4-chlorophenyl)-3-methyl-5-phenylpentanoate
Other name (1)：
  • (S)-3-Methyl-3-(4-chlorophenyl)-5-phenylpentanoic acid 2,6-dimethylphenyl ester
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