2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; hafnium(4+); dichloride

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; hafnium(4+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; hafnium(4+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; hafnium(4+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; hafnium(4+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; hafnium(4+); dichloride Formula: C50H62Cl2Hf MolecularWeight: 912.42328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C([CH-]C2=C1)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C.CC1=C(C=C2C=C([CH-]C2=C1)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C.[Cl-].[Cl-].[Hf+4]

Isomeric SMILES

CC1=C(C=C2C=C([CH-]C2=C1)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C.CC1=C(C=C2C=C([CH-]C2=C1)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C.[Cl-].[Cl-].[Hf+4]

InChI

InChI=1S/2C25H31.2ClH.Hf/c2*1-16-9-18-11-20(12-19(18)10-17(16)2)21-13-22(24(3,4)5)15-23(14-21)25(6,7)8;;;/h2*9-15H,1-8H3;2*1H;/q2*-1;;;+4/p-2