Chem
J-GLOBAL ID：201007015144192425   Nikkaji number：J2.871.504H

1,4-Dimethyl-2,2-(3-oxo-1,4-pentadiene-1,5-diyl)-3-(4-chlorophenyl)-7-hydroxytricyclo[2.2.2.03,5]octane-6,8-dione

1,4-ジメチル-2,2-(3-オキソ-1,4-ペンタジエン-1,5-ジイル)-3-(4-クロロフェニル)-7-ヒドロキシトリシクロ[2.2.2.03,5]オクタン-6,8-ジオン
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： C21H17ClO4
Molecular formula furigana： C21-H17-CL-O4
Molecular weight： 368.810
InChI： InChI=1S/C21H17ClO4/c1-18-14-15(24)19(2,17(26)16(18)25)20(9-7-13(23)8-10-20)21(14,18)11-3-5-12(22)6-4-11/h3-10,14,17,26H,1-2H3
InChI key： OQGPCJYLIYODKT-UHFFFAOYSA-N
SMILES： CC12C3C(=O)C(C)(C(O)C1=O)C1(C=CC(=O)C=C1)C23c1ccc(Cl)cc1
Systematic name  (3)：
  • 1,4-ジメチル-2,2-(3-オキソ-1,4-ペンタジエン-1,5-ジイル)-3-(4-クロロフェニル)-7-ヒドロキシトリシクロ[2.2.2.03,5]オクタン-6,8-ジオン
  • 7'-(4-クロロフェニル)-4'-ヒドロキシ-2',5'-ジメチルスピロ[シクロヘキサン-1,6'-トリシクロ[3.2.1.02,7]オクタン]-2,5-ジエン-3',4,8'-トリオン
  • 7'-(4-chlorophenyl)-4'-hydroxy-2',5'-dimethylspiro[cyclohexane-1,6'-tricyclo[3.2.1.02,7]octane]-2,5-diene-3',4,8'-trione
Other name (1)：
  • 1,4-Dimethyl-2,2-(3-oxo-1,4-pentadiene-1,5-diyl)-3-(4-chlorophenyl)-7-hydroxytricyclo[2.2.2.03,5]octane-6,8-dione
Thsaurus map：
Thesaurus Map

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