Chem
J-GLOBAL ID：201307038315015847
Nikkaji number：J3.193.760D
(3R,4′S,5′R)-2-Oxo-5-chloro-4′-phenylspiro[benzofuran-3(2H),1′-[2]cyclopentene]-3′,5′-dicarboxylic acid 3′-methyl 5′-ethyl ester
(3R,4′S,5′R)-2-オキソ-5-クロロ-4′-フェニルスピロ[ベンゾフラン-3(2H),1′-[2]シクロペンテン]-3′,5′-ジカルボン酸3′-メチル5′-エチル
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
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
Molecular formula： C23H19ClO6
Molecular formula furigana： C23-H19-CL-O6
Molecular weight： 426.850
InChI：
InChI=1S/C23H19ClO6/c1-3-29-21(26)19-18(13-7-5-4-6-8-13)15(20(25)28-2)12-23(19)16-11-14(24)9-10-17(16)30-22(23)27/h4-12,18-19H,3H2,1-2H3/t18-,19-,23-/m0/s1
InChI key：
KONJMNJLENZYAX-YDHSSHFGSA-N
SMILES：
CCOC(=O)[C@@H]1[C@H](C(=C[C@]21C(=O)Oc1ccc(Cl)cc21)C(=O)OC)c1ccccc1
Systematic name (3)：
- (3R,4′S,5′R)-2-オキソ-5-クロロ-4′-フェニルスピロ[ベンゾフラン-3(2H),1′-[2]シクロペンテン]-3′,5′-ジカルボン酸3′-メチル5′-エチル
- 5'-エチル 3'-メチル (3R,4'S,5'R)-5-クロロ-2-オキソ-4'-フェニル-2H-スピロ[1-ベンゾフラン-3,1'-シクロペンタン]-2'-エン-3',5'-ジカルボキシラート
- 5'-ethyl 3'-methyl (3R,4'S,5'R)-5-chloro-2-oxo-4'-phenyl-2H-spiro[1-benzofuran-3,1'-cyclopentan]-2'-ene-3',5'-dicarboxylate
- (3R,4′S,5′R)-2-Oxo-5-chloro-4′-phenylspiro[benzofuran-3(2H),1′-[2]cyclopentene]-3′,5′-dicarboxylic acid 3′-methyl 5′-ethyl ester
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