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

Systemtic Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+) Openeye Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+) CAS Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+) IUPAC Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+) Traditional Name: 2-(3,5-ditert-butylphenyl)-5,6-dimethyl-1H-inden-1-ide; zirconium(2+) Formula: C50H62Zr MolecularWeight: 754.25128

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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.[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.[Zr+2]

InChI

InChI=1S/2C25H31.Zr/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;/q2*-1;+2