1-(3-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; (diphenylmethylidene)zirconium; dichloride

Systemtic Name: 1-(3-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 1-(3-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride CAS Name: 1-(3-butyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 1-(3-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium; 1-(3-butylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Formula: C70H62Cl2Zr2-4 MolecularWeight: 1156.59528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CCC(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43.CCCCC1=CCC(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCCCC1=CCC(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43.CCCCC1=CCC(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/2C22H21.2C13H10.2ClH.2Zr/c2*1-2-3-7-16-12-13-18(14-16)20-10-6-11-21-19-9-5-4-8-17(19)15-22(20)21;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*4-6,8-12,14-15H,2-3,7,13H2,1H3;2*1-10H;2*1H;;/q2*-1;;;;;;/p-2