3-tert-butyl-1H-inden-1-ide; 9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 3-tert-butyl-1H-inden-1-ide; 9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 3-tert-butyl-1H-inden-1-ide; 9H-fluoren-9-ide; isopropylidenezirconium(2+); dichloride CAS Name: 3-tert-butyl-1H-inden-1-ide; 9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 3-tert-butyl-1H-inden-1-ide; 9H-fluoren-9-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 3-tert-butyl-1H-inden-1-ide; 9H-fluoren-9-ide; isopropylidenezirconium(2+); dichloride Formula: C58H60Cl2Zr2-2 MolecularWeight: 1010.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

Isomeric SMILES

CC(=[Zr+2])C.CC(=[Zr+2])C.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.CC(C)(C)C1=C[CH-]C2=CC=CC=C21.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[CH-]1C2=CC=CC=C2C3=CC=CC=C31.[Cl-].[Cl-]

InChI

InChI=1S/2C13H9.2C13H15.2C3H6.2ClH.2Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;2*1-3-2;;;;/h2*1-9H;2*4-9H,1-3H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2