4-(4-tert-butylphenyl)-3-[[7-(4-tert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]methyl]-2-ethyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride

Systemtic Name: 4-(4-tert-butylphenyl)-3-[[7-(4-tert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]methyl]-2-ethyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: 4-(4-tert-butylphenyl)-3-[[7-(4-tert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]methyl]-2-ethyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: 4-(4-tert-butylphenyl)-3-[[7-(4-tert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]methyl]-2-ethyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: 4-(4-tert-butylphenyl)-3-[[7-(4-tert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]methyl]-2-ethyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: 4-(4-tert-butylphenyl)-3-[[7-(4-tert-butylphenyl)-2-ethyl-3H-inden-3-id-1-yl]methyl]-2-ethyl-1H-inden-1-ide; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C57H67ClOZr MolecularWeight: 894.81828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C)CC4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)(C)C)CC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C(C)(C)C)CC4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C(C)(C)C)CC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C43H46.C14H22O.ClH.Zr/c1-9-28-25-32-13-11-15-36(30-17-21-34(22-18-30)42(3,4)5)40(32)38(28)27-39-29(10-2)26-33-14-12-16-37(41(33)39)31-19-23-35(24-20-31)43(6,7)8;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h11-26H,9-10,27H2,1-8H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2