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

Systemtic Name: 2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 2,3,6,7-tetratert-butyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C58H82Cl2Zr2 MolecularWeight: 1032.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C(C)(C)C)C(C)(C)C.CC(C)(C)C1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C(C)(C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C29H41.2ClH.2Zr/c2*1-26(2,3)22-14-18-13-19-15-23(27(4,5)6)25(29(10,11)12)17-21(19)20(18)16-24(22)28(7,8)9;;;;/h2*14,16-17H,13H2,1-12H3;2*1H;;/q2*-1;;;2*+2/p-2