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Substance Name: beta-D-Glucopyranosiduronic acid, 4-(2-chloro-1-(4-hydroxyphenyl)ethenyl)phenyl
RN: 79639-33-1
InChIKey: XISRFPSBCZDHKG-BBGXLIRQSA-N

Molecular Formula

  • C20-H19-Cl-O8

Molecular Weight

  • 422.815
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, 4-(2-chloro-1-(4-hydroxyphenyl)ethenyl)phenyl

Registry Numbers

CAS Registry Number

  • 79639-33-1

System Generated Number

  • 0079639331

Structure Descriptors

InChI

1S/C20H19ClO8/c21-9-14(10-1-5-12(22)6-2-10)11-3-7-13(8-4-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h1-9,15-18,20,22-25H,(H,26,27)/b14-9+/t15-,16-,17+,18-,20+/m0/s1

InChIKey

XISRFPSBCZDHKG-BBGXLIRQSA-N

Smiles

O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)C(=O)O)c1ccc(cc1)C(=C/Cl)\c1ccc(cc1)O