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

Systemtic Name: bis[2-butyl-7-(4-cyclohexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Openeye Name: bis[2-butyl-7-(4-cyclohexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride CAS Name: bis[2-butyl-7-(4-cyclohexylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride IUPAC Name: bis[2-butyl-7-(4-cyclohexylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Traditional Name: bis[2-butyl-7-(4-cyclohexylphenyl)-3H-inden-3-id-1-yl]-dimethyl-silane; 2,4-ditert-butylphenolate; zirconium(4+); chloride Formula: C66H83ClOSiZr MolecularWeight: 1047.12712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C4CCCCC4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)C8CCCCC8)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)C4CCCCC4)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=C(C=C7)C8CCCCC8)CCCC.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C52H62Si.C14H22O.ClH.Zr/c1-5-7-17-45-35-43-23-15-25-47(41-31-27-39(28-32-41)37-19-11-9-12-20-37)49(43)51(45)53(3,4)52-46(18-8-6-2)36-44-24-16-26-48(50(44)52)42-33-29-40(30-34-42)38-21-13-10-14-22-38;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h15-16,23-38H,5-14,17-22H2,1-4H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2