Hexanoic acid, 6-amino-, hexyl ester, 4-methylbenzenesulfonate (1:1)

CAS Registry Number®

1926-86-9
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CAS Name

Hexanoic acid, 6-amino-, hexyl ester, 4-methylbenzenesulfonate (1:1)

Molecular Formula

C12H25NO2.C7H8O3S

Cite this Page

Hexanoic acid, 6-amino-, hexyl ester, 4-methylbenzenesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1926-86-9 (retrieved 2024-09-08) (CAS RN: 1926-86-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H25NO2.C7H8O3S/c1-2-3-4-8-11-15-12(14)9-6-5-7-10-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-11,13H2,1H3;2-5H,1H3,(H,8,9,10)

InChIKey

InChIKey=RVALTWBPTNLNAV-UHFFFAOYSA-N

SMILES

O(C(CCCCCN)=O)CCCCCC.S(=O)(=O)(O)C1=CC=C(C)C=C1

Canonical SMILES

O=C(OCCCCCC)CCCCCN.O=S(=O)(O)C1=CC=C(C=C1)C

Other Names for this Substance

  • Hexanoic acid, 6-amino-, hexyl ester, 4-methylbenzenesulfonate (1:1)
  • Hexanoic acid, 6-amino-, hexyl ester, p-toluenesulfonate
  • Hexanoic acid, 6-amino-, hexyl ester, 4-methylbenzenesulfonate