2-tert-butyl-1H-inden-1-ide; (diphenylmethylidene)zirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-1H-inden-1-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); 2-tert-butyl-1H-inden-1-ide; dichloride CAS Name: 2-tert-butyl-1H-inden-1-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2-tert-butyl-1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2-tert-butyl-1H-inden-1-ide; dichloride Formula: C78H80Cl2Zr2-2 MolecularWeight: 1270.8238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=CC=CC=C2[CH-]1.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/4C13H15.2C13H10.2ClH.2Zr/c4*1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;;;;/h4*4-9H,1-3H3;2*1-10H;2*1H;;/q4*-1;;;;;2*+2/p-2