1-cyclopenta-1,3-dien-1-ylinden-1-ide; (diphenylmethylidene)zirconium; dichloride

Systemtic Name: 1-cyclopenta-1,3-dien-1-ylinden-1-ide; (diphenylmethylidene)zirconium; dichloride Openeye Name: benzhydrylidenezirconium; 1-cyclopenta-1,3-dien-1-ylinden-1-ide; dichloride CAS Name: 1-(1-cyclopenta-1,3-dienyl)inden-1-ide; (diphenylmethylene)zirconium; dichloride IUPAC Name: benzhydrylidenezirconium; 1-cyclopenta-1,3-dien-1-ylinden-1-ide; dichloride Traditional Name: benzhydrylidenezirconium; 1-cyclopenta-1,3-dien-1-ylinden-1-ide; dichloride Formula: C54H42Cl2Zr2-4 MolecularWeight: 944.26528

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C1[C-]2C=CC3=CC=CC=C23.C1C=CC=C1[C-]2C=CC3=CC=CC=C23.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

C1C=CC=C1[C-]2C=CC3=CC=CC=C23.C1C=CC=C1[C-]2C=CC3=CC=CC=C23.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/2C14H11.2C13H10.2ClH.2Zr/c2*1-2-6-11(5-1)14-10-9-12-7-3-4-8-13(12)14;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h2*1-5,7-10H,6H2;2*1-10H;2*1H;;/q2*-1;;;;;;/p-2