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Substance Name: Benzenebutanoic acid, 4-(phenylthio)-, sodium salt
ID: CY90537000
InChIKey: FRYGZYPPXBHTEB-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-O2-S.Na

Molecular Weight

  • 294.3485
 
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Names and Synonyms

Synonyms

  • 4-(Phenylthio)benzenebutanoic acid sodium salt
  • 4-Phenyl-4-(phenylthio)butyric acid sodium salt

Systematic Name

  • Benzenebutanoic acid, 4-(phenylthio)-, sodium salt

Registry Numbers

ID Number

  • NIOSH/CY9053700

System Generated Number

  • CY90537000

Molecular Formulas

Molecular Formula

  • C16-H15-O2-S.Na

Molecular Formula Fragments

  • C16-H15-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H16O2S.Na/c17-16(18)8-4-5-13-9-11-15(12-10-13)19-14-6-2-1-3-7-14;/h1-3,6-7,9-12H,4-5,8H2,(H,17,18);/q;+1/p-1

InChIKey

FRYGZYPPXBHTEB-UHFFFAOYSA-M

Smiles

[Na+].[O-]C(=O)CCCc1ccc(Sc2ccccc2)cc1