1,4-Diazabicyclo[2.2.2]octane, bis(4-methylbenzenesulfonate)

CAS Registry Number®

93962-72-2
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CAS Name

1,4-Diazabicyclo[2.2.2]octane, bis(4-methylbenzenesulfonate)

Molecular Formula

C7H8O3S.1/2C6H12N2

Cite this Page

1,4-Diazabicyclo[2.2.2]octane, bis(4-methylbenzenesulfonate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=93962-72-2 (retrieved 2024-08-08) (CAS RN: 93962-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C7H8O3S.C6H12N2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-8-5-3-7(1)4-6-8/h2-5H,1H3,(H,8,9,10);1-6H2

InChIKey

InChIKey=FMQZSJVCHOHXQH-UHFFFAOYSA-N

SMILES

N12CCN(CC1)CC2.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=S(=O)(O)C1=CC=C(C=C1)C.N12CCN(CC1)CC2

Other Names for this Substance

  • 1,4-Diazabicyclo[2.2.2]octane, bis(4-methylbenzenesulfonate)

Deleted or Replaced CAS Registry Numbers

210357-82-7