3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 3,6-ditert-butyl-2,7-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C66H66Cl2Zr2 MolecularWeight: 1112.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(CC3=C2C=C(C(=[C-]3)C4=CC=CC=C4)C(C)(C)C)C=C1C5=CC=CC=C5.CC(C)(C)C1=CC2=C(CC3=C2C=C(C(=[C-]3)C4=CC=CC=C4)C(C)(C)C)C=C1C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=C(CC3=C2C=C(C(=[C-]3)C4=CC=CC=C4)C(C)(C)C)C=C1C5=CC=CC=C5.CC(C)(C)C1=CC2=C(CC3=C2C=C(C(=[C-]3)C4=CC=CC=C4)C(C)(C)C)C=C1C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C33H33.2ClH.2Zr/c2*1-32(2,3)30-20-26-24(18-28(30)22-13-9-7-10-14-22)17-25-19-29(23-15-11-8-12-16-23)31(21-27(25)26)33(4,5)6;;;;/h2*7-16,18,20-21H,17H2,1-6H3;2*1H;;/q2*-1;;;2*+2/p-2