1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride

Systemtic Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride Openeye Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride CAS Name: 1,3-ditert-butyl-5-(1-cyclopenta-1,4-dienyl)-2-methoxybenzene; zirconium(2+); dichloride IUPAC Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxybenzene; zirconium(2+); dichloride Traditional Name: 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride Formula: C40H54Cl2O2Zr-2 MolecularWeight: 728.98556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C2=[C-]CC=C2.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C2=[C-]CC=C2.[Cl-].[Cl-].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C2=[C-]CC=C2.CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)C2=[C-]CC=C2.[Cl-].[Cl-].[Zr+2]

InChI

InChI=1S/2C20H27O.2ClH.Zr/c2*1-19(2,3)16-12-15(14-10-8-9-11-14)13-17(18(16)21-7)20(4,5)6;;;/h2*8,10,12-13H,9H2,1-7H3;2*1H;/q2*-1;;;+2/p-2