Chem
J-GLOBAL ID：201007048514857052   Nikkaji number：J2.798.272G

(S)-3-[2-(o-Chlorophenyl)-1-cyclohexenyl]-3-hydroxypropanoic acid phenyl ester

(S)-3-[2-(o-クロロフェニル)-1-シクロヘキセニル]-3-ヒドロキシプロパン酸フェニル
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： C21H21ClO3
Molecular formula furigana： C21-H21-CL-O3
Molecular weight： 356.850
InChI： InChI=1S/C21H21ClO3/c22-19-13-7-6-11-17(19)16-10-4-5-12-18(16)20(23)14-21(24)25-15-8-2-1-3-9-15/h1-3,6-9,11,13,20,23H,4-5,10,12,14H2/t20-/m0/s1
InChI key： TZMANVHRCQYTPK-FQEVSTJZSA-N
SMILES： O[C@@H](CC(=O)Oc1ccccc1)C1=C(CCCC1)c1ccccc1Cl
Systematic name  (3)：
  • (S)-3-[2-(o-クロロフェニル)-1-シクロヘキセニル]-3-ヒドロキシプロパン酸フェニル
  • フェニル (3S)-3-[2-(2-クロロフェニル)シクロヘキサ-1-エン-1-イル]-3-ヒドロキシプロパノアート
  • phenyl (3S)-3-[2-(2-chlorophenyl)cyclohex-1-en-1-yl]-3-hydroxypropanoate
Other name (1)：
  • (S)-3-[2-(o-Chlorophenyl)-1-cyclohexenyl]-3-hydroxypropanoic acid phenyl ester
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