4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)

CAS Registry Number®

97110-59-3
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CAS Name

4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)

Molecular Formula

C17H13ClN3O.C2H5O3S

Cite this Page

4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=97110-59-3 (retrieved 2024-03-28) (CAS RN: 97110-59-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187-188 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H13ClN3O.C2H6O3S/c18-14-7-5-13(6-8-14)17(22)16-15-4-2-1-3-12(15)9-10-21(16)20-11-19-17;1-2-6(3,4)5/h1-11,22H,(H,19,20);2H2,1H3,(H,3,4,5)/q+1;/p-1

InChIKey

InChIKey=SHXJBCWOVPAZQL-UHFFFAOYSA-M

SMILES

OC1(C2=C3C(=CC=[N+]2NC=N1)C=CC=C3)C4=CC=C(Cl)C=C4.S(CC)(=O)(=O)[O-]

Canonical SMILES

O=S(=O)([O-])CC.ClC1=CC=C(C=C1)C2(O)N=CN[N+]=3C=CC=4C=CC=CC4C32

Other Names for this Substance

  • 4H-[1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1-hydro-1-hydroxy-, ethanesulfonate (1:1)
  • [1,2,4]Triazino[6,1-a]isoquinolin-5-ium, 1-(4-chlorophenyl)-1,2-dihydro-1-hydroxy-, ethanesulfonate (salt)
  • Ethanesulfonic acid, ion(1-), 1-(4-chlorophenyl)-1,2-dihydro-1-hydroxy[1,2,4]triazino[6,1-a]isoquinolin-5-ium
  • Trazium esilate
  • EGYT 3615

Deleted or Replaced CAS Registry Numbers

107634-87-7

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