bis[7-(4-tert-butylphenyl)-2-ethyl-3-(phenylmethyl)-3H-inden-1-yl]-dimethyl-silane; zirconium(2+)

Systemtic Name: bis[7-(4-tert-butylphenyl)-2-ethyl-3-(phenylmethyl)-3H-inden-1-yl]-dimethyl-silane; zirconium(2+) Openeye Name: bis[7-(4-tert-butylphenyl)-2-ethyl-3-(phenylmethyl)-3H-inden-1-yl]-dimethyl-silane; zirconium(2+) CAS Name: bis[7-(4-tert-butylphenyl)-2-ethyl-3-(phenylmethyl)-3H-inden-1-yl]-dimethylsilane; zirconium(2+) IUPAC Name: bis[7-(4-tert-butylphenyl)-2-ethyl-3-(phenylmethyl)-3H-inden-1-yl]-dimethylsilane; zirconium(2+) Traditional Name: bis[7-(4-tert-butylphenyl)-2-ethyl-3-(phenylmethyl)-3H-inden-1-yl]-dimethyl-silane; zirconium(2+) Formula: C58H62SiZr MolecularWeight: 878.42238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2C1[CH-]C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)[Si](C)(C)C5=C(C(C6=CC=CC(=C65)C7=CC=C(C=C7)C(C)(C)C)[CH-]C8=CC=CC=C8)CC.[Zr+2]

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2C1[CH-]C3=CC=CC=C3)C4=CC=C(C=C4)C(C)(C)C)[Si](C)(C)C5=C(C(C6=CC=CC(=C65)C7=CC=C(C=C7)C(C)(C)C)[CH-]C8=CC=CC=C8)CC.[Zr+2]

InChI

InChI=1S/C58H62Si.Zr/c1-11-45-51(37-39-21-15-13-16-22-39)49-27-19-25-47(41-29-33-43(34-30-41)57(3,4)5)53(49)55(45)59(9,10)56-46(12-2)52(38-40-23-17-14-18-24-40)50-28-20-26-48(54(50)56)42-31-35-44(36-32-42)58(6,7)8;/h13-38,51-52H,11-12H2,1-10H3;/q-2;+2