2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dichloride

Systemtic Name: 2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dichloride Openeye Name: 2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dichloride CAS Name: 2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dichloride IUPAC Name: 2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dichloride Traditional Name: 2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dichloride Formula: C50H34Cl2Zr2 MolecularWeight: 888.15896

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Descriptors Computed from Structure

Canonical SMILES:

[CH-]1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=CC=C5.[CH-]1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

[CH-]1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=CC=C5.[CH-]1C2=C(C=CC(=C2)C3=CC=CC=C3)C4=C1C=C(C=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C25H17.2ClH.2Zr/c2*1-3-7-18(8-4-1)20-11-13-24-22(15-20)17-23-16-21(12-14-25(23)24)19-9-5-2-6-10-19;;;;/h2*1-17H;2*1H;;/q2*-1;;;2*+2/p-2