2,4-ditert-butylphenolate; dimethyl-bis(2-naphthalen-1-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-naphthalen-1-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-(1-naphthyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-(1-naphthalenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-naphthalen-1-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-(1-naphthyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Formula: C54H51ClOSiZr MolecularWeight: 870.74464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.C[Si](C)(C1=C([CH-]C2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)C5=C([CH-]C6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.C[Si](C)(C1=C([CH-]C2=CC=CC=C21)C3=CC=CC4=CC=CC=C43)C5=C([CH-]C6=CC=CC=C65)C7=CC=CC8=CC=CC=C87.[Cl-].[Zr+4]

InChI

InChI=1S/C40H30Si.C14H22O.ClH.Zr/c1-41(2,39-33-21-9-5-15-29(33)25-37(39)35-23-11-17-27-13-3-7-19-31(27)35)40-34-22-10-6-16-30(34)26-38(40)36-24-12-18-28-14-4-8-20-32(28)36;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h3-26H,1-2H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2