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

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(1-naphthalenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-naphthalen-1-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(1-naphthyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride Formula: C56H55ClOSiZr MolecularWeight: 898.7978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C([CH-]1)C=CC=C2C3=CC=CC4=CC=CC=C43)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87)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=CC4=CC=CC=C43)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC=CC8=CC=CC=C87)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

InChI=1S/C42H34Si.C14H22O.ClH.Zr/c1-27-25-31-17-11-23-37(35-21-9-15-29-13-5-7-19-33(29)35)39(31)41(27)43(3,4)42-28(2)26-32-18-12-24-38(40(32)42)36-22-10-16-30-14-6-8-20-34(30)36;1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;;/h5-26H,1-4H3;7-9,15H,1-6H3;1H;/q-2;;;+4/p-2