3,3,3-tris(4-chlorophenyl)propanoate

Systemtic Name: 3,3,3-tris(4-chlorophenyl)propanoate Openeye Name: 3,3,3-tris(4-chlorophenyl)propanoate CAS Name: 3,3,3-tris(4-chlorophenyl)propanoate IUPAC Name: 3,3,3-tris(4-chlorophenyl)propanoate Traditional Name: 3,3,3-tris(4-chlorophenyl)propionate Formula: C21H14Cl3O2- MolecularWeight: 404.69366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)[O-])(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)[O-])(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)/p-1