Calmidazolium chloride

CAS Registry Number®

57265-65-3
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CAS Name

Calmidazolium chloride

Molecular Formula

C31H23Cl6N2O.Cl

Cite this Page

Calmidazolium chloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=57265-65-3 (retrieved 2024-02-22) (CAS RN: 57265-65-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1

InChIKey

InChIKey=YGEIMSMISRCBFF-UHFFFAOYSA-M

SMILES

C([N+]1=CN(CC(OCC2=C(Cl)C=C(Cl)C=C2)C3=C(Cl)C=C(Cl)C=C3)C=C1)(C4=CC=C(Cl)C=C4)C5=CC=C(Cl)C=C5.[Cl-]

Canonical SMILES

[Cl-].ClC1=CC=C(C=C1)C(C2=CC=C(Cl)C=C2)[N+]=3C=CN(C3)CC(OCC4=CC=C(Cl)C=C4Cl)C5=CC=C(Cl)C=C5Cl

Other Names for this Substance

  • 1H-Imidazolium, 3-[bis(4-chlorophenyl)methyl]-1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, chloride (1:1)
  • 1H-Imidazolium, 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-, chloride
  • R 24571
  • Calmidazolium chloride
  • 1-[Bis(4-chlorophenyl)methyl]-3-(2,4-dichloro-β-(2,4-dichlorobenzyloxy)phenethyl]imidazolium chloride)

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