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Substance Name: 3,5,5-Trimethylhexanoyloxybenzene sulfonate
RN: 102568-17-2
InChIKey: YIMYUGFRPUNGOM-UHFFFAOYSA-N

Note

  • Causes hyaline droplet nephropathy.

Molecular Formula

  • C15-H22-O5-S

Molecular Weight

  • 314.4
 
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Names and Synonyms

Name of Substance

  • 3,5,5-Trimethylhexanoyloxybenzene sulfonate

Synonyms

  • 3,5,5-Thbs
  • 3,5,5-Trimethylhexanoyloxybenzene sulfonic acid

Systematic Name

  • Hexanoic acid, 3,5,5-trimethyl-, 4-sulfophenyl ester

Registry Numbers

CAS Registry Number

  • 102568-17-2

System Generated Number

  • 0102568172

Structure Descriptors

InChI

1S/C15H22O5S/c1-11(10-15(2,3)4)9-14(16)20-12-5-7-13(8-6-12)21(17,18)19/h5-8,11H,9-10H2,1-4H3,(H,17,18,19)

InChIKey

YIMYUGFRPUNGOM-UHFFFAOYSA-N

Smiles

C(C[C@@H](CC(C)(C)C)C)(=O)Oc1ccc(cc1)S(=O)(=O)O