2-butylcyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; dichloride

Systemtic Name: 2-butylcyclopenta-1,3-diene; (diphenylmethylidene)zirconium(2+); 9H-fluoren-9-ide; dichloride Openeye Name: benzhydrylidenezirconium(2+); 2-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride CAS Name: 2-butylcyclopenta-1,3-diene; (diphenylmethylene)zirconium(2+); 9H-fluoren-9-ide; dichloride IUPAC Name: benzhydrylidenezirconium(2+); 2-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride Traditional Name: benzhydrylidenezirconium(2+); 2-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; dichloride Formula: C70H64Cl2Zr2-2 MolecularWeight: 1158.61116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC[C-]=C1.CCCCC1=CC[C-]=C1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.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

CCCCC1=CC[C-]=C1.CCCCC1=CC[C-]=C1.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.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/2C13H9.2C13H10.2C9H13.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*1-2-3-6-9-7-4-5-8-9;;;;/h2*1-9H;2*1-10H;2*7-8H,2-4,6H2,1H3;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2