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

Systemtic Name: 2,7-diphenyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) Openeye Name: 2,7-diphenyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) CAS Name: 2,7-diphenyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) IUPAC Name: 2,7-diphenyl-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) Traditional Name: 2,7-diphenyl-9H-fluoren-9-ide; zirconium(2+); dimesylate Formula: C52H40O6S2Zr2 MolecularWeight: 1007.4484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[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.[Zr+2].[Zr+2]

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[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.[Zr+2].[Zr+2]

InChI

InChI=1S/2C25H17.2CH4O3S.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;2*1-5(2,3)4;;/h2*1-17H;2*1H3,(H,2,3,4);;/q2*-1;;;2*+2/p-2