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

Systemtic Name: 2,7-bis(bromanyl)-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) Openeye Name: 2,7-dibromo-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) CAS Name: 2,7-dibromo-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) IUPAC Name: 2,7-dibromo-9H-fluoren-9-ide; methanesulfonate; zirconium(2+) Traditional Name: 2,7-dibromo-9H-fluoren-9-ide; zirconium(2+); dimesylate Formula: C28H20Br4O6S2Zr2 MolecularWeight: 1018.6488

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[CH-]1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br.[CH-]1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br.[Zr+2].[Zr+2]

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].[CH-]1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br.[CH-]1C2=C(C=CC(=C2)Br)C3=C1C=C(C=C3)Br.[Zr+2].[Zr+2]

InChI

InChI=1S/2C13H7Br2.2CH4O3S.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;2*1-5(2,3)4;;/h2*1-7H;2*1H3,(H,2,3,4);;/q2*-1;;;2*+2/p-2