2-(5-chloranylbenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol; phenylmethanone; zirconium(2+)

Systemtic Name: 2-(5-chloranylbenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol; phenylmethanone; zirconium(2+) Openeye Name: 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol; phenylmethanone; zirconium(2+) CAS Name: 2-(5-chloro-2-benzotriazolyl)-4-methyl-6-(2-phenylphenyl)phenol; phenylmethanone; zirconium(2+) IUPAC Name: 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol; phenylmethanone; zirconium(2+) Traditional Name: 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-(2-phenylphenyl)phenol; phenylmethanone; zirconium(2+) Formula: C39H28ClN3O3Zr MolecularWeight: 713.33492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=CC=CC=C2C3=CC=CC=C3)O)N4N=C5C=CC(=CC5=N4)Cl.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=CC=CC=C2C3=CC=CC=C3)O)N4N=C5C=CC(=CC5=N4)Cl.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

InChI

InChI=1S/C25H18ClN3O.2C7H5O.Zr/c1-16-13-21(20-10-6-5-9-19(20)17-7-3-2-4-8-17)25(30)24(14-16)29-27-22-12-11-18(26)15-23(22)28-29;2*8-6-7-4-2-1-3-5-7;/h2-15,30H,1H3;2*1-5H;/q;2*-1;+2