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Substance Name: beta-D-Glucopyranosiduronic acid, 4-(2,2-dichloro-1-(4-methoxyphenyl)ethyl)phenyl
RN: 79639-27-3
InChIKey: AAVCXNILORITAY-BOYMLIHASA-N

Molecular Formula

  • C21-H22-Cl2-O8

Molecular Weight

  • 473.303
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 79639-27-3

System Generated Number

  • 0079639273

Structure Descriptors

InChI

1S/C21H22Cl2O8/c1-29-12-6-2-10(3-7-12)14(19(22)23)11-4-8-13(9-5-11)30-21-17(26)15(24)16(25)18(31-21)20(27)28/h2-9,14-19,21,24-26H,1H3,(H,27,28)/t14?,15-,16-,17+,18-,21+/m0/s1

InChIKey

AAVCXNILORITAY-BOYMLIHASA-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)OC