3,6-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 3,6-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 3,6-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 3,6-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 3,6-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 3,6-diphenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C50H34Cl2Zr2 MolecularWeight: 888.15896

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C3=CC=CC=C3)C4=C1[C-]=CC(=C4)C5=CC=CC=C5.C1C2=C(C=C(C=C2)C3=CC=CC=C3)C4=C1[C-]=CC(=C4)C5=CC=CC=C5.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1C2=C(C=C(C=C2)C3=CC=CC=C3)C4=C1[C-]=CC(=C4)C5=CC=CC=C5.C1C2=C(C=C(C=C2)C3=CC=CC=C3)C4=C1[C-]=CC(=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)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;;;;/h2*1-13,16-17H,15H2;2*1H;;/q2*-1;;;2*+2/p-2