9-phenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride

Systemtic Name: 9-phenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Openeye Name: 9-phenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride CAS Name: 9-phenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride IUPAC Name: 9-phenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Traditional Name: 9-phenyl-1,9-dihydrofluoren-1-ide; zirconium(2+); dichloride Formula: C76H52Cl2Zr2-2 MolecularWeight: 1218.58008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.C1=CC=C(C=C1)C2C3=CC=CC=C3C4=C2[C-]=CC=C4.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/4C19H13.2ClH.2Zr/c4*1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;;;;/h4*1-12,19H;2*1H;;/q4*-1;;;2*+2/p-2