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

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(4-methylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(p-tolyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(4-methylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(4-methylphenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(p-tolyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Formula: C50H55ClOSiZr MolecularWeight: 826.7336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=C(C=C3)C)[Si](C)(C)C4=C([CH-]C5=C4C(=CC=C5)C6=CC=C(C=C6)C)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C36H34Si.C14H22O.ClH.Zr/c1-23-13-17-27(18-14-23)31-11-7-9-29-21-25(3)35(33(29)31)37(5,6)36-26(4)22-30-10-8-12-32(34(30)36)28-19-15-24(2)16-20-28;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h7-22H,1-6H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2