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

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C100H124Cl2Zr2-2 MolecularWeight: 1579.40856

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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.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-].[Zr+2].[Zr+2]

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.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-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C25H31.2ClH.2Zr/c4*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;;;;/h4*9-15H,1-8H3;2*1H;;/q4*-1;;;2*+2/p-2