2-butyl-1-[2-[2-butyl-7-(4-propan-2-ylphenyl)inden-2-id-1-yl]ethyl]-7-(4-propan-2-ylphenyl)inden-2-ide; zirconium(4+); dichloride

Systemtic Name: 2-butyl-1-[2-[2-butyl-7-(4-propan-2-ylphenyl)inden-2-id-1-yl]ethyl]-7-(4-propan-2-ylphenyl)inden-2-ide; zirconium(4+); dichloride Openeye Name: 2-butyl-1-[2-[2-butyl-7-(4-isopropylphenyl)inden-2-id-1-yl]ethyl]-7-(4-isopropylphenyl)inden-2-ide; zirconium(4+); dichloride CAS Name: 2-butyl-1-[2-[2-butyl-7-(4-propan-2-ylphenyl)-1-inden-2-idyl]ethyl]-7-(4-propan-2-ylphenyl)inden-2-ide; zirconium(4+); dichloride IUPAC Name: 2-butyl-1-[2-[2-butyl-7-(4-propan-2-ylphenyl)inden-2-id-1-yl]ethyl]-7-(4-propan-2-ylphenyl)inden-2-ide; zirconium(4+); dichloride Traditional Name: 2-butyl-1-[2-(2-butyl-7-p-cumenyl-inden-2-id-1-yl)ethyl]-7-p-cumenyl-inden-2-ide; zirconium(4+); dichloride Formula: C46H52Cl2Zr MolecularWeight: 767.03508

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[C-]1C=C2C=CC=C(C2=C1CCC3=C4C(=C[C-]3CCCC)C=CC=C4C5=CC=C(C=C5)C(C)C)C6=CC=C(C=C6)C(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCCC[C-]1C=C2C=CC=C(C2=C1CCC3=C4C(=C[C-]3CCCC)C=CC=C4C5=CC=C(C=C5)C(C)C)C6=CC=C(C=C6)C(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C46H52.2ClH.Zr/c1-7-9-13-37-29-39-15-11-17-41(35-23-19-33(20-24-35)31(3)4)45(39)43(37)27-28-44-38(14-10-8-2)30-40-16-12-18-42(46(40)44)36-25-21-34(22-26-36)32(5)6;;;/h11-12,15-26,29-32H,7-10,13-14,27-28H2,1-6H3;2*1H;/q-2;;;+4/p-2