11H-benzo[a]fluoren-11-ide; 2-tert-butylcyclopenta-1,3-diene; zirconium(4+); dichloride

Systemtic Name: 11H-benzo[a]fluoren-11-ide; 2-tert-butylcyclopenta-1,3-diene; zirconium(4+); dichloride Openeye Name: 11H-benzo[a]fluoren-11-ide; 2-tert-butylcyclopenta-1,3-diene; zirconium(4+); dichloride CAS Name: 11H-benzo[a]fluoren-11-ide; 2-tert-butylcyclopenta-1,3-diene; zirconium(4+); dichloride IUPAC Name: 11H-benzo[a]fluoren-11-ide; 2-tert-butylcyclopenta-1,3-diene; zirconium(4+); dichloride Traditional Name: 11H-benzo[a]fluoren-11-ide; 2-tert-butylcyclopenta-1,3-diene; zirconium(4+); dichloride Formula: C26H24Cl2Zr MolecularWeight: 498.59876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[C-]CC=C1.[CH-]1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC(C)(C)C1=[C-]CC=C1.[CH-]1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C17H11.C9H13.2ClH.Zr/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16;1-9(2,3)8-6-4-5-7-8;;;/h1-11H;4,6H,5H2,1-3H3;2*1H;/q2*-1;;;+4/p-2