1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride

Systemtic Name: 1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Openeye Name: 1-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 3-methyl-1H-inden-1-ide; dichloride CAS Name: 1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride IUPAC Name: 1-tert-butylcyclopenta-1,3-diene; 3-methyl-1H-inden-1-ide; propan-2-ylidenezirconium(2+); dichloride Traditional Name: 1-tert-butylcyclopenta-1,3-diene; isopropylidenezirconium(2+); 3-methyl-1H-inden-1-ide; dichloride Formula: C22H28Cl2Zr-2 MolecularWeight: 454.58772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[CH-]C2=CC=CC=C12.CC(=[Zr+2])C.CC(C)(C)C1=CC=[C-]C1.[Cl-].[Cl-]

Isomeric SMILES

CC1=C[CH-]C2=CC=CC=C12.CC(=[Zr+2])C.CC(C)(C)C1=CC=[C-]C1.[Cl-].[Cl-]

InChI

InChI=1S/C10H9.C9H13.C3H6.2ClH.Zr/c1-8-6-7-9-4-2-3-5-10(8)9;1-9(2,3)8-6-4-5-7-8;1-3-2;;;/h2-7H,1H3;4,6H,7H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2