Chem
J-GLOBAL ID：200907007289118319
Nikkaji number：J2.582.745G
(1S)-2β-(4-Chlorobenzoyl)-3α-[(S)-1-hydroxy-2-(formyloxy)ethyl]cyclopropane-1α-carboxylic acid
(1S)-2β-(4-クロロベンゾイル)-3α-[(S)-1-ヒドロキシ-2-(ホルミルオキシ)エチル]シクロプロパン-1α-カルボン酸
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： C14H13ClO6
Molecular formula furigana： C14-H13-CL-O6
Molecular weight： 312.700
InChI：
InChI=1S/C14H13ClO6/c15-8-3-1-7(2-4-8)13(18)11-10(12(11)14(19)20)9(17)5-21-6-16/h1-4,6,9-12,17H,5H2,(H,19,20)/t9-,10+,11+,12+/m1/s1
InChI key：
HYQDJRVBJQXGLJ-RHYQMDGZSA-N
SMILES：
O[C@H](COC=O)[C@@H]1[C@@H]([C@H]1C(=O)c1ccc(Cl)cc1)C(=O)O
Systematic name (3)：
- (1S)-2β-(4-クロロベンゾイル)-3α-[(S)-1-ヒドロキシ-2-(ホルミルオキシ)エチル]シクロプロパン-1α-カルボン酸
- (1S,2S,3S)-2-(4-クロロベンゾイル)-3-[(1S)-2-(ホルミルオキシ)-1-ヒドロキシエチル]シクロプロパン-1-カルボン酸
- (1S,2S,3S)-2-(4-chlorobenzoyl)-3-[(1S)-2-(formyloxy)-1-hydroxyethyl]cyclopropane-1-carboxylic acid
- (1S)-2β-(4-Chlorobenzoyl)-3α-[(S)-1-hydroxy-2-(formyloxy)ethyl]cyclopropane-1α-carboxylic acid
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