1-(3,5-ditert-butylphenyl)-1,2-dihydroinden-2-ide; hafnium(4+); dichloride

Systemtic Name: 1-(3,5-ditert-butylphenyl)-1,2-dihydroinden-2-ide; hafnium(4+); dichloride Openeye Name: 1-(3,5-ditert-butylphenyl)-1,2-dihydroinden-2-ide; hafnium(4+); dichloride CAS Name: 1-(3,5-ditert-butylphenyl)-1,2-dihydroinden-2-ide; hafnium(4+); dichloride IUPAC Name: 1-(3,5-ditert-butylphenyl)-1,2-dihydroinden-2-ide; hafnium(4+); dichloride Traditional Name: 1-(3,5-ditert-butylphenyl)-1,2-dihydroinden-2-ide; hafnium(4+); dichloride Formula: C46H54Cl2Hf MolecularWeight: 856.31696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2[C-]=CC3=CC=CC=C23)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2[C-]=CC3=CC=CC=C23)C(C)(C)C.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2[C-]=CC3=CC=CC=C23)C(C)(C)C.CC(C)(C)C1=CC(=CC(=C1)C2[C-]=CC3=CC=CC=C23)C(C)(C)C.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C23H27.2ClH.Hf/c2*1-22(2,3)18-13-17(14-19(15-18)23(4,5)6)21-12-11-16-9-7-8-10-20(16)21;;;/h2*7-11,13-15,21H,1-6H3;2*1H;/q2*-1;;;+4/p-2