2-anthracen-9-yl-4-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+)

Systemtic Name: 2-anthracen-9-yl-4-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) Openeye Name: 2-(9-anthryl)-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) CAS Name: 2-(9-anthracenyl)-4-tert-butyl-6-(5-chloro-2-benzotriazolyl)phenol; phenylmethanone; zirconium(2+) IUPAC Name: 2-anthracen-9-yl-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) Traditional Name: 2-(9-anthryl)-4-tert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) Formula: C44H34ClN3O3Zr MolecularWeight: 779.43606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C2=C3C=CC=CC3=CC4=CC=CC=C42)O)N5N=C6C=CC(=CC6=N5)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=C3C=CC=CC3=CC4=CC=CC=C42)O)N5N=C6C=CC(=CC6=N5)Cl.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

InChI

InChI=1S/C30H24ClN3O.2C7H5O.Zr/c1-30(2,3)20-15-24(28-22-10-6-4-8-18(22)14-19-9-5-7-11-23(19)28)29(35)27(16-20)34-32-25-13-12-21(31)17-26(25)33-34;2*8-6-7-4-2-1-3-5-7;/h4-17,35H,1-3H3;2*1-5H;/q;2*-1;+2