2,4-ditert-butyl-6-(5-chloranylbenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+)

Systemtic Name: 2,4-ditert-butyl-6-(5-chloranylbenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) Openeye Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) CAS Name: 2,4-ditert-butyl-6-(5-chloro-2-benzotriazolyl)phenol; phenylmethanone; zirconium(2+) IUPAC Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) Traditional Name: 2,4-ditert-butyl-6-(5-chlorobenzotriazol-2-yl)phenol; phenylmethanone; zirconium(2+) Formula: C34H34ClN3O3Zr MolecularWeight: 659.32906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C.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)N2N=C3C=CC(=CC3=N2)Cl)O)C(C)(C)C.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

InChI

InChI=1S/C20H24ClN3O.2C7H5O.Zr/c1-19(2,3)12-9-14(20(4,5)6)18(25)17(10-12)24-22-15-8-7-13(21)11-16(15)23-24;2*8-6-7-4-2-1-3-5-7;/h7-11,25H,1-6H3;2*1-5H;/q;2*-1;+2