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

Systemtic Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-naphthalen-2-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Openeye Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(2-naphthyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride CAS Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(2-naphthalenyl)-3H-inden-3-id-1-yl]silane; zirconium(4+); chloride IUPAC Name: 2,4-ditert-butylphenolate; dimethyl-bis(2-methyl-7-naphthalen-2-yl-3H-inden-3-id-1-yl)silane; zirconium(4+); chloride Traditional Name: 2,4-ditert-butylphenolate; dimethyl-bis[2-methyl-7-(2-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=CC4=CC=CC=C4C=C3)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC8=CC=CC=C8C=C7)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=CC4=CC=CC=C4C=C3)[Si](C)(C)C5=C([CH-]C6=C5C(=CC=C6)C7=CC8=CC=CC=C8C=C7)C.CC(C)(C)C1=CC(=C(C=C1)[O-])C(C)(C)C.[Cl-].[Zr+4]

InChI

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