Chem
J-GLOBAL ID：201407002441699290   Nikkaji number：J3.329.630D

2-[(S)-2-[(S)-α-Hydroxy-4-chlorobenzyl]-3-butenyl]malonic acid dimethyl ester

2-[(S)-2-[(S)-α-ヒドロキシ-4-クロロベンジル]-3-ブテニル]マロン酸ジメチル
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： C16H19ClO5
Molecular formula furigana： C16-H19-CL-O5
Molecular weight： 326.770
InChI： InChI=1S/C16H19ClO5/c1-4-10(9-13(15(19)21-2)16(20)22-3)14(18)11-5-7-12(17)8-6-11/h4-8,10,13-14,18H,1,9H2,2-3H3/t10-,14+/m1/s1
InChI key： GRTDANYBGIKCDG-YGRLFVJLSA-N
SMILES： COC(=O)C(C[C@@H](C=C)[C@H](O)c1ccc(Cl)cc1)C(=O)OC
Systematic name  (3)：
  • 2-[(S)-2-[(S)-α-ヒドロキシ-4-クロロベンジル]-3-ブテニル]マロン酸ジメチル
  • 1,3-ジメチル 2-[(2S,3S)-3-(4-クロロフェニル)-2-エテニル-3-ヒドロキシプロピル]プロパンジオアート
  • 1,3-dimethyl 2-[(2S,3S)-3-(4-chlorophenyl)-2-ethenyl-3-hydroxypropyl]propanedioate
Other name (1)：
  • 2-[(S)-2-[(S)-α-Hydroxy-4-chlorobenzyl]-3-butenyl]malonic acid dimethyl ester
Thsaurus map：
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