4-tert-butyl-2-(5-chloranylbenzotriazol-2-yl)-6-phenyl-phenol; phenylmethanone; zirconium(2+)

Systemtic Name: 4-tert-butyl-2-(5-chloranylbenzotriazol-2-yl)-6-phenyl-phenol; phenylmethanone; zirconium(2+) Openeye Name: 4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenyl-phenol; phenylmethanone; zirconium(2+) CAS Name: 4-tert-butyl-2-(5-chloro-2-benzotriazolyl)-6-phenylphenol; phenylmethanone; zirconium(2+) IUPAC Name: 4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenylphenol; phenylmethanone; zirconium(2+) Traditional Name: 4-tert-butyl-2-(5-chlorobenzotriazol-2-yl)-6-phenyl-phenol; phenylmethanone; zirconium(2+) Formula: C36H30ClN3O3Zr MolecularWeight: 679.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)N3N=C4C=CC(=CC4=N3)Cl.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C2=CC=CC=C2)O)N3N=C4C=CC(=CC4=N3)Cl.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

InChI

InChI=1S/C22H20ClN3O.2C7H5O.Zr/c1-22(2,3)15-11-17(14-7-5-4-6-8-14)21(27)20(12-15)26-24-18-10-9-16(23)13-19(18)25-26;2*8-6-7-4-2-1-3-5-7;/h4-13,27H,1-3H3;2*1-5H;/q;2*-1;+2