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

Systemtic Name: 2-(5-chloranylbenzotriazol-2-yl)-4-methyl-6-phenyl-phenol; phenylmethanone; zirconium(2+) Openeye Name: 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenyl-phenol; phenylmethanone; zirconium(2+) CAS Name: 2-(5-chloro-2-benzotriazolyl)-4-methyl-6-phenylphenol; phenylmethanone; zirconium(2+) IUPAC Name: 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenylphenol; phenylmethanone; zirconium(2+) Traditional Name: 2-(5-chlorobenzotriazol-2-yl)-4-methyl-6-phenyl-phenol; phenylmethanone; zirconium(2+) Formula: C33H24ClN3O3Zr MolecularWeight: 637.23896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C19H14ClN3O.2C7H5O.Zr/c1-12-9-15(13-5-3-2-4-6-13)19(24)18(10-12)23-21-16-8-7-14(20)11-17(16)22-23;2*8-6-7-4-2-1-3-5-7;/h2-11,24H,1H3;2*1-5H;/q;2*-1;+2