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

Systemtic Name: 2-(4-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2-(4-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2-(4-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2-(4-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2-(4-phenylphenyl)-1H-inden-1-ide; zirconium(2+); dichloride Formula: C84H60Cl2Zr2-2 MolecularWeight: 1322.7292

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[CH-]1C2=CC=CC=C2C=C1C3=CC=C(C=C3)C4=CC=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C21H15.2ClH.2Zr/c4*1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-14-19-8-4-5-9-20(19)15-21;;;;/h4*1-15H;2*1H;;/q4*-1;;;2*+2/p-2