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Substance Name: Methyl mercapturate episulfonium ion
RN: 114301-30-3
InChIKey: OCRQZANISNQOTL-FJXQXJEOSA-N

Molecular Formula

  • C8-H14-N-O3-S.Cl-O4

Molecular Weight

  • 305.733
 
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Names and Synonyms

Name of Substance

  • Methyl mercapturate episulfonium ion

Synonym

  • MMESI

Systematic Name

  • Thiiranium, 1-(2-(acetylamino)-3-methoxy-3-oxopropyl)-, (R)-, perchlorate

Registry Numbers

CAS Registry Number

  • 114301-30-3

System Generated Number

  • 0114301303

Molecular Formulas

Molecular Formula

  • C8-H14-N-O3-S.Cl-O4

Molecular Formula Fragments

  • C8-H14-N-O3-S
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C8H14NO3S.ClHO4/c1-6(10)9-7(8(11)12-2)5-13-3-4-13;2-1(3,4)5/h7H,3-5H2,1-2H3,(H,9,10);(H,2,3,4,5)/t7-;/m0./s1

InChIKey

OCRQZANISNQOTL-FJXQXJEOSA-N

Smiles

[S]1(C[C@@H](C(=O)OC)[NH+]C(=O)C)CC1.Cl(=O)(=O)([O-])=O