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

Systemtic Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; propane; zirconium(2+); dichloride Openeye Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; propane; zirconium(2+); dichloride CAS Name: 2-(1-cyclopenta-1,3-dienyl)-1,9-dihydrofluoren-1-ide; propane; zirconium(2+); dichloride IUPAC Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-ide; propane; zirconium(2+); dichloride Traditional Name: 2-cyclopenta-1,3-dien-1-yl-1,9-dihydrofluoren-1-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=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

C[CH-]C.C[CH-]C.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.C1C=CC=C1C2=[C-]C3=C(C=C2)C4=CC=CC=C4C3.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

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