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

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; methylidenezirconium(2+); dichloride Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; methylenezirconium(2+); dichloride CAS Name: 2-tert-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; methylenezirconium(2+); dichloride IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; methylidenezirconium(2+); dichloride Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 9H-fluoren-9-ide; methylenezirconium(2+); dichloride Formula: C46H48Cl2Zr2-2 MolecularWeight: 854.22732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.C=[Zr+2].C=[Zr+2].[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC[C-]=C1.CC(C)(C)C1=CC[C-]=C1.C=[Zr+2].C=[Zr+2].[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C9H13.2CH2.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-9(2,3)8-6-4-5-7-8;;;;;;/h2*1-9H;2*6-7H,4H2,1-3H3;2*1H2;2*1H;;/q4*-1;;;;;2*+2/p-2