5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1)

CAS Registry Number®

85721-24-0

CAS Name

5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1)

Molecular Formula

C17H12ClNO2S.1/2Ca

Cite this Page

5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85721-24-0 (retrieved 2024-11-24) (CAS RN: 85721-24-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H12ClNO2S.Ca/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h1-9H,10H2,(H,20,21);

InChIKey

InChIKey=WMZDPUBNBHXDHZ-UHFFFAOYSA-N

SMILES

C(C(O)=O)C1=C(N=C(S1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3.[Ca]

Canonical SMILES

[Ca].O=C(O)CC=1SC(=NC1C=2C=CC(Cl)=CC2)C=3C=CC=CC3

Other Names for this Substance

  • 5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl-, calcium salt (2:1)
  • 5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-phenyl-, calcium salt