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

Systemtic Name: 2-tert-butyl-6-(5-chloranylbenzotriazol-2-yl)-4-methoxy-phenol; phenylmethanone; zirconium(2+) Openeye Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methoxy-phenol; phenylmethanone; zirconium(2+) CAS Name: 2-tert-butyl-6-(5-chloro-2-benzotriazolyl)-4-methoxyphenol; phenylmethanone; zirconium(2+) IUPAC Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methoxyphenol; phenylmethanone; zirconium(2+) Traditional Name: 2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-methoxy-phenol; phenylmethanone; zirconium(2+) Formula: C31H28ClN3O4Zr MolecularWeight: 633.24872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)N2N=C3C=CC(=CC3=N2)Cl)OC.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)N2N=C3C=CC(=CC3=N2)Cl)OC.C1=CC=C(C=C1)[C-]=O.C1=CC=C(C=C1)[C-]=O.[Zr+2]

InChI

InChI=1S/C17H18ClN3O2.2C7H5O.Zr/c1-17(2,3)12-8-11(23-4)9-15(16(12)22)21-19-13-6-5-10(18)7-14(13)20-21;2*8-6-7-4-2-1-3-5-7;/h5-9,22H,1-4H3;2*1-5H;/q;2*-1;+2