2-(2-methylpropyl)-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(2-methylpropyl)-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-isobutyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(2-methylpropyl)-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(2-methylpropyl)-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-isobutyl-4-phenyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C76H76Cl2Zr2-2 MolecularWeight: 1242.77064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.CC(C)CC1=CC2=C([CH-]1)C=CC=C2C3=CC=CC=C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H19.2ClH.2Zr/c4*1-14(2)11-15-12-17-9-6-10-18(19(17)13-15)16-7-4-3-5-8-16;;;;/h4*3-10,12-14H,11H2,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2