1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propane; zirconium(2+); dichloride

Systemtic Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propane; zirconium(2+); dichloride Openeye Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propane; zirconium(2+); dichloride CAS Name: 1-(1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; propane; zirconium(2+); dichloride IUPAC Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propane; zirconium(2+); dichloride Traditional Name: 1-cyclopenta-1,3-dien-1-yl-9H-fluoren-9-ide; propane; zirconium(2+); dichloride Formula: C42H40Cl2Zr2-2 MolecularWeight: 798.121

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Descriptors Computed from Structure

Canonical SMILES:

C[CH-]C.C[CH-]C.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C[CH-]C.C[CH-]C.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1C=CC=C1C2=CC=CC3=C2[CH-]C4=CC=CC=C43.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C18H13.2C3H7.2ClH.2Zr/c2*1-2-7-13(6-1)15-10-5-11-17-16-9-4-3-8-14(16)12-18(15)17;2*1-3-2;;;;/h2*1-6,8-12H,7H2;2*3H,1-2H3;2*1H;;/q4*-1;;;2*+2/p-2