2-(4-tert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2-(4-tert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(4-tert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(4-tert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(4-tert-butylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(4-tert-butylphenyl)-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)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.CC(C)(C)C1=CC=C(C=C1)C2=CC3=CC=CC=C3[CH-]2.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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