2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-4b,9-dihydrofluoren-9-id-1-yl)silane; zirconium(4+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-4b,9-dihydrofluoren-9-id-1-yl)silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-4b,9-dihydrofluoren-9-id-1-yl)silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-4b,9-dihydrofluoren-9-id-1-yl)silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-4b,9-dihydrofluoren-9-id-1-yl)silane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-4b,9-dihydrofluoren-9-id-1-yl)silane; zirconium(4+); chloride Formula: C44H47ClOSiZr MolecularWeight: 746.60588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C3C=CC=CC3=[C-]2)[Si](C)(C)C4=C(C=CC5=C4[C-]=C6C5C=CC=C6)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

Isomeric SMILES

CC1=C(C2=C(C=C1)C3C=CC=CC3=[C-]2)[Si](C)(C)C4=C(C=CC5=C4[C-]=C6C5C=CC=C6)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C30H26Si.C14H22O.ClH.Zr/c1-19-13-15-25-23-11-7-5-9-21(23)17-27(25)29(19)31(3,4)30-20(2)14-16-26-24-12-8-6-10-22(24)18-28(26)30;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h5-16,23-24H,1-4H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2