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Substance Name: beta-D-Glucopyranuronic acid, 1-(2-ethylhexyl 1,2-benzenedicaboxylate)
RN: 59348-65-1
InChIKey: UDJLVIABEVCMKC-OUTMRZRFSA-N

Molecular Weight

  • 454.469
 
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Names and Synonyms

Synonym

  • Mono-2-ethylhexyl phthalate glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(2-ethylhexyl 1,2-benzenedicaboxylate)

Registry Numbers

CAS Registry Number

  • 59348-65-1

System Generated Number

  • 0059348651

Structure Descriptors

InChI

1S/C22H30O10/c1-3-5-8-12(4-2)11-30-20(28)13-9-6-7-10-14(13)21(29)32-22-17(25)15(23)16(24)18(31-22)19(26)27/h6-7,9-10,12,15-18,22-25H,3-5,8,11H2,1-2H3,(H,26,27)/t12?,15-,16-,17+,18-,22-/m0/s1

InChIKey

UDJLVIABEVCMKC-OUTMRZRFSA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(=O)c1c(cccc1)C(=O)OC[C@@H](CCCC)CC