2,3-ditert-butylcyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 1H-inden-1-ide; dichloride

Systemtic Name: 2,3-ditert-butylcyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 1H-inden-1-ide; dichloride Openeye Name: benzhydrylidenezirconium(2+); 2,3-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; dichloride CAS Name: 2,3-ditert-butylcyclopenta-1,3-diene; (diphenylmethylene)zirconium(2+); 1H-inden-1-ide; dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2,3-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2,3-ditert-butylcyclopenta-1,3-diene; 1H-inden-1-ide; dichloride Formula: C70H76Cl2Zr2-2 MolecularWeight: 1170.70644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC[C-]=C1C(C)(C)C.CC(C)(C)C1=CC[C-]=C1C(C)(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.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=CC[C-]=C1C(C)(C)C.CC(C)(C)C1=CC[C-]=C1C(C)(C)C.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.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/2C13H10.2C13H21.2C9H7.2ClH.2Zr/c2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-12(2,3)10-8-7-9-11(10)13(4,5)6;2*1-2-5-9-7-3-6-8(9)4-1;;;;/h2*1-10H;2*8H,7H2,1-6H3;2*1-7H;2*1H;;/q;;4*-1;;;2*+2/p-2