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Substance Name: Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, isobutyrate
ID: BR47900000
InChIKey: NWUGSDUCZINQPY-UHFFFAOYSA-M

Molecular Formula

  • C13-H20-N-O2.C-H3-O4-S

Molecular Weight

  • 333.4027
 
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Names and Synonyms

Synonyms

  • (m-Hydroxyphenyl)trimethylammonium methylsulfate isobutyrate
  • Isobutyrylester der 3-oxyphenyltrimethylammoniummethylsulfat
  • Isobutyrylester der 3-oxyphenyltrimethylammoniummethylsulfat [German]

Systematic Name

  • Ammonium, (m-hydroxyphenyl)trimethyl-, methylsulfate, isobutyrate

Registry Numbers

ID Number

  • NIOSH/BR4790000

System Generated Number

  • BR47900000

Molecular Formulas

Molecular Formula

  • C13-H20-N-O2.C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C13-H20-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C13H20NO2.CH4O4S/c1-10(2)13(15)16-12-8-6-7-11(9-12)14(3,4)5;1-5-6(2,3)4/h6-10H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

InChIKey

NWUGSDUCZINQPY-UHFFFAOYSA-M

Smiles

S([O-])(=O)(=O)OC.C(Oc1cc([N+](C)(C)C)ccc1)(=O)C(C)C