2-tert-butyl-5-ethyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; (diphenylmethylidene)zirconium(2+); dichloride

Systemtic Name: 2-tert-butyl-5-ethyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; (diphenylmethylidene)zirconium(2+); dichloride Openeye Name: benzhydrylidenezirconium(2+); 2-tert-butyl-5-ethyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; dichloride CAS Name: 2-tert-butyl-5-ethylcyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; (diphenylmethylene)zirconium(2+); dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2-tert-butyl-5-ethylcyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2-tert-butyl-5-ethyl-cyclopenta-1,3-diene; 1,9-dihydrofluoren-1-ide; dichloride Formula: C37H36Cl2Zr-2 MolecularWeight: 642.81174

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C=C(C=[C-]1)C(C)(C)C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

CCC1C=C(C=[C-]1)C(C)(C)C.C1C2=CC=CC=C2C3=C1[C-]=CC=C3.C1=CC=C(C=C1)C(=[Zr+2])C2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C13H9.C13H10.C11H17.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-5-9-6-7-10(8-9)11(2,3)4;;;/h1-5,7-8H,9H2;1-10H;7-9H,5H2,1-4H3;2*1H;/q-1;;-1;;;+2/p-2