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Substance Name: beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-hydroxyphenyl)ethyl)phenyl
RN: 79639-32-0
InChIKey: FXOOTXHLYWZUOQ-ZNJKZJEWSA-N

Molecular Formula

  • C20-H20-Cl2-O8

Molecular Weight

  • 459.276
 
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Names and Synonyms

  • beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-hydroxyphenyl)ethyl)phenyl

Registry Numbers

CAS Registry Number

  • 79639-32-0

System Generated Number

  • 0079639320

Structure Descriptors

InChI

1S/C20H20Cl2O8/c21-18(22)13(9-1-5-11(23)6-2-9)10-3-7-12(8-4-10)29-20-16(26)14(24)15(25)17(30-20)19(27)28/h1-8,13-18,20,23-26H,(H,27,28)/t13?,14-,15-,16+,17-,20+/m0/s1

InChIKey

FXOOTXHLYWZUOQ-ZNJKZJEWSA-N

Smiles

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