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Substance Name: beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)
RN: 61183-31-1
InChIKey: PEQHOPSTXKMJSA-JSZVJRGMSA-N

Molecular Formula

  • C14-H18-Cl2-O9

Molecular Weight

  • 401.193
 
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Names and Synonyms

  • beta-D-Glucopyranuronic acid, 1-(3-(2,2-dichloroethenyl)-2-(hydroxymethyl)-2-methylcyclopropanecarboxylate)

Registry Numbers

CAS Registry Number

  • 61183-31-1

System Generated Number

  • 0061183311

Structure Descriptors

InChI

1S/C14H18Cl2O9/c1-14(3-17)4(2-5(15)16)6(14)12(23)25-13-9(20)7(18)8(19)10(24-13)11(21)22/h2,4,6-10,13,17-20H,3H2,1H3,(H,21,22)/t4?,6?,7-,8-,9+,10-,13-,14?/m0/s1

InChIKey

PEQHOPSTXKMJSA-JSZVJRGMSA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(=O)[C@@H]1[C@@]([C@@H]1\C=C(\Cl)Cl)(C)CO