2,7-ditert-butyl-9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(4+); dichloride

Systemtic Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(4+); dichloride Openeye Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(4+); dichloride CAS Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(4+); dichloride IUPAC Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(4+); dichloride Traditional Name: 2,7-ditert-butyl-9H-fluoren-9-ide; 9-(2-methyl-1H-inden-1-id-4-yl)phenanthrene; zirconium(4+); dichloride Formula: C45H42Cl2Zr MolecularWeight: 744.94498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CC(C)(C)C1=CC2=C(C=C1)C3=C([CH-]2)C=C(C=C3)C(C)(C)C.[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C24H17.C21H25.2ClH.Zr/c1-16-13-17-8-6-12-22(23(17)14-16)24-15-18-7-2-3-9-19(18)20-10-4-5-11-21(20)24;1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18;;;/h2-15H,1H3;7-13H,1-6H3;2*1H;/q2*-1;;;+4/p-2