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

Systemtic Name: cyclopenta-1,3-diene; 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 1,3-ditert-butyl-5-(1-cyclopenta-1,4-dienyl)-2-methoxybenzene; zirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxybenzene; zirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 1,3-ditert-butyl-5-cyclopenta-1,4-dien-1-yl-2-methoxy-benzene; zirconium(2+); dichloride Formula: C50H64Cl2O2Zr2-2 MolecularWeight: 950.39596

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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.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[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.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C20H27O.2C5H5.2ClH.2Zr/c2*1-19(2,3)16-12-15(14-10-8-9-11-14)13-17(18(16)21-7)20(4,5)6;2*1-2-4-5-3-1;;;;/h2*8,10,12-13H,9H2,1-7H3;2*1-3H,4H2;2*1H;;/q4*-1;;;2*+2/p-2