bis[2-butyl-7-(4-ethylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride

Systemtic Name: bis[2-butyl-7-(4-ethylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[2-butyl-7-(4-ethylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[2-butyl-7-(4-ethylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[2-butyl-7-(4-ethylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[2-butyl-7-(4-ethylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C58H71ClOSiZr MolecularWeight: 938.94624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CC)CCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)CC)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)CC)CCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C44H50Si.C14H22O.ClH.Zr/c1-7-11-15-37-29-35-17-13-19-39(33-25-21-31(9-3)22-26-33)41(35)43(37)45(5,6)44-38(16-12-8-2)30-36-18-14-20-40(42(36)44)34-27-23-32(10-4)24-28-34;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h13-14,17-30H,7-12,15-16H2,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2