2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide; dichloride

Systemtic Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide; dichloride Openeye Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide; dichloride CAS Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide; dichloride IUPAC Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide; dichloride Traditional Name: 2-adamantylidenezirconium(2+); cyclopenta-1,3-diene; 3,6-ditert-butyl-2,7-dimethyl-9H-fluoren-9-ide; dichloride Formula: C38H48Cl2Zr-2 MolecularWeight: 666.91772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)[CH-]C3=CC(=C(C=C32)C(C)(C)C)C)C(C)(C)C.C1C=CC=[C-]1.C1C2CC3CC1CC(C2)C3=[Zr+2].[Cl-].[Cl-]

Isomeric SMILES

CC1=C(C=C2C(=C1)[CH-]C3=CC(=C(C=C32)C(C)(C)C)C)C(C)(C)C.C1C=CC=[C-]1.C1C2CC3CC1CC(C2)C3=[Zr+2].[Cl-].[Cl-]

InChI

InChI=1S/C23H29.C10H14.C5H5.2ClH.Zr/c1-14-9-16-11-17-10-15(2)21(23(6,7)8)13-19(17)18(16)12-20(14)22(3,4)5;1-7-2-9-4-8(1)5-10(3-7)6-9;1-2-4-5-3-1;;;/h9-13H,1-8H3;7-10H,1-5H2;1-3H,4H2;2*1H;/q-1;;-1;;;+2/p-2