2,2,2-tris(benzotriazol-1-yl)-1-phenyl-ethanone

Systemtic Name: 2,2,2-tris(benzotriazol-1-yl)-1-phenyl-ethanone Openeye Name: 2,2,2-tris(benzotriazol-1-yl)-1-phenyl-ethanone CAS Name: 2,2,2-tris(1-benzotriazolyl)-1-phenylethanone IUPAC Name: 2,2,2-tris(benzotriazol-1-yl)-1-phenylethanone Traditional Name: 2,2,2-tris(benzotriazol-1-yl)-1-phenyl-ethanone Formula: C26H17N9O MolecularWeight: 471.47288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(N2C3=CC=CC=C3N=N2)(N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(N2C3=CC=CC=C3N=N2)(N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

InChI

InChI=1S/C26H17N9O/c36-25(18-10-2-1-3-11-18)26(33-22-15-7-4-12-19(22)27-30-33,34-23-16-8-5-13-20(23)28-31-34)35-24-17-9-6-14-21(24)29-32-35/h1-17H