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

Systemtic Name: 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 3,6-ditert-butyl-2,7-dimethyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C46H58Cl2Zr2 MolecularWeight: 864.30672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.CC1=C(C=C2C(=C1)CC3=[C-]C(=C(C=C32)C(C)(C)C)C)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C23H29.2ClH.2Zr/c2*1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;;;;/h2*9,12-13H,11H2,1-8H3;2*1H;;/q2*-1;;;2*+2/p-2