2,7-ditert-butyl-9H-fluoren-9-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 2-methyl-1H-inden-1-ide; zirconium(2+); dichloride Formula: C62H68Cl2Zr2-2 MolecularWeight: 1066.55732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

Isomeric SMILES

CC1=CC2=CC=CC=C2[CH-]1.CC1=CC2=CC=CC=C2[CH-]1.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+2].[Zr+2]

InChI

InChI=1S/2C21H25.2C10H9.2ClH.2Zr/c2*1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;2*1-8-6-9-4-2-3-5-10(9)7-8;;;;/h2*7-13H,1-6H3;2*2-7H,1H3;2*1H;;/q4*-1;;;2*+2/p-2