2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate; zirconium(4+)

Systemtic Name: 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate; zirconium(4+) Openeye Name: 2-(benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenolate; zirconium(4+) CAS Name: 2-(2-benzotriazolyl)-4,6-bis(2-methylbutan-2-yl)phenolate; zirconium(4+) IUPAC Name: 2-(benzotriazol-2-yl)-4,6-bis(2-methylbutan-2-yl)phenolate; zirconium(4+) Traditional Name: 2,4-ditert-amyl-6-(benzotriazol-2-yl)phenolate; zirconium(4+) Formula: C44H56N6O2Zr+2 MolecularWeight: 792.17844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)[O-])C(C)(C)CC.CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)[O-])C(C)(C)CC.[Zr+4]

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)[O-])C(C)(C)CC.CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)[O-])C(C)(C)CC.[Zr+4]

InChI

InChI=1S/2C22H29N3O.Zr/c2*1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)25-23-17-11-9-10-12-18(17)24-25;/h2*9-14,26H,7-8H2,1-6H3;/q;;+4/p-2