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

Systemtic Name: (diphenylmethylidene)zirconium; 1-(3-propylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Openeye Name: benzhydrylidenezirconium; 1-(3-propylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride CAS Name: (diphenylmethylene)zirconium; 1-(3-propyl-1-cyclopenta-1,3-dienyl)-9H-fluoren-9-ide; dichloride IUPAC Name: benzhydrylidenezirconium; 1-(3-propylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium; 1-(3-propylcyclopenta-1,3-dien-1-yl)-9H-fluoren-9-ide; dichloride Formula: C68H58Cl2Zr2-4 MolecularWeight: 1128.54212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CCC(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43.CCCC1=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

CCCC1=CCC(=C1)C2=CC=CC3=C2[CH-]C4=CC=CC=C43.CCCC1=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/2C21H19.2C13H10.2ClH.2Zr/c2*1-2-6-15-11-12-17(13-15)19-9-5-10-20-18-8-4-3-7-16(18)14-21(19)20;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*3-5,7-11,13-14H,2,6,12H2,1H3;2*1-10H;2*1H;;/q2*-1;;;;;;/p-2