2,2,2-tris(benzotriazol-1-yl)-1-(4-methylphenyl)ethanone

Systemtic Name: 2,2,2-tris(benzotriazol-1-yl)-1-(4-methylphenyl)ethanone Openeye Name: 2,2,2-tris(benzotriazol-1-yl)-1-(p-tolyl)ethanone CAS Name: 2,2,2-tris(1-benzotriazolyl)-1-(4-methylphenyl)ethanone IUPAC Name: 2,2,2-tris(benzotriazol-1-yl)-1-(4-methylphenyl)ethanone Traditional Name: 2,2,2-tris(benzotriazol-1-yl)-1-(p-tolyl)ethanone Formula: C27H19N9O MolecularWeight: 485.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(N2C3=CC=CC=C3N=N2)(N4C5=CC=CC=C5N=N4)N6C7=CC=CC=C7N=N6

Isomeric SMILES

CC1=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/C27H19N9O/c1-18-14-16-19(17-15-18)26(37)27(34-23-11-5-2-8-20(23)28-31-34,35-24-12-6-3-9-21(24)29-32-35)36-25-13-7-4-10-22(25)30-33-36/h2-17H,1H3