Chem
J-GLOBAL ID：200907048791518248   Nikkaji number：J2.120.525G

2α,4β-Bis(1,3-benzodioxole-5-yl)cyclobutane-1α,3β-dicarboxylic acid dimethyl ester

2α,4β-ビス(1,3-ベンゾジオキソール-5-イル)シクロブタン-1α,3β-ジカルボン酸ジメチル
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： C22H20O8
Molecular formula furigana： C22-H20-O8
Molecular weight： 412.394
InChI： InChI=1S/C22H20O8/c1-25-21(23)19-17(11-3-5-13-15(7-11)29-9-27-13)20(22(24)26-2)18(19)12-4-6-14-16(8-12)30-10-28-14/h3-8,17-20H,9-10H2,1-2H3/t17-,18?,19+,20?/m1/s1
InChI key： PLPIKBZFMOSODI-SOAISFHBSA-N
SMILES： COC(=O)C1[C@@H]([C@@H](C1c1ccc2OCOc2c1)C(=O)OC)c1ccc2OCOc2c1
Systematic name  (3)：
  • 2α,4β-ビス(1,3-ベンゾジオキソール-5-イル)シクロブタン-1α,3β-ジカルボン酸ジメチル
  • 1,3-ジメチル (1S,2s)-2,4-ビス(2H-1,3-ベンゾジオキソール-5-イル)シクロブタン-1,3-ジカルボキシラート
  • 1,3-dimethyl (1S,2s)-2,4-bis(2H-1,3-benzodioxol-5-yl)cyclobutane-1,3-dicarboxylate
Other name (1)：
  • 2α,4β-Bis(1,3-benzodioxole-5-yl)cyclobutane-1α,3β-dicarboxylic acid dimethyl ester
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