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

Systemtic Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+) Openeye Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+) CAS Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+) IUPAC Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+) Traditional Name: 5-tert-butyl-2-(3,5-ditert-butylphenyl)-1H-inden-1-ide; zirconium(2+) Formula: C54H70Zr MolecularWeight: 810.3576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C([CH-]C(=C2)C3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C=C1.[Zr+2]

InChI

InChI=1S/2C27H35.Zr/c2*1-25(2,3)22-11-10-18-12-19(13-20(18)14-22)21-15-23(26(4,5)6)17-24(16-21)27(7,8)9;/h2*10-17H,1-9H3;/q2*-1;+2