3,6-bis(2-phenylpropan-2-yl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 3,6-bis(2-phenylpropan-2-yl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 3,6-bis(1-methyl-1-phenyl-ethyl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 3,6-bis(2-phenylpropan-2-yl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 3,6-bis(2-phenylpropan-2-yl)-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 3,6-dicumyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C62H58Cl2Zr2 MolecularWeight: 1056.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC3=C(CC4=C3C=C(C=[C-]4)C(C)(C)C5=CC=CC=C5)C=C2.CC(C)(C1=CC=CC=C1)C2=CC3=C(CC4=C3C=C(C=[C-]4)C(C)(C)C5=CC=CC=C5)C=C2.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC3=C(CC4=C3C=C(C=[C-]4)C(C)(C)C5=CC=CC=C5)C=C2.CC(C)(C1=CC=CC=C1)C2=CC3=C(CC4=C3C=C(C=[C-]4)C(C)(C)C5=CC=CC=C5)C=C2.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C31H29.2ClH.2Zr/c2*1-30(2,24-11-7-5-8-12-24)26-17-15-22-19-23-16-18-27(21-29(23)28(22)20-26)31(3,4)25-13-9-6-10-14-25;;;;/h2*5-15,17-18,20-21H,19H2,1-4H3;2*1H;;/q2*-1;;;2*+2/p-2