2,3-di(propan-2-yl)cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride

Systemtic Name: 2,3-di(propan-2-yl)cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Openeye Name: 2,3-diisopropylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride CAS Name: 2,3-di(propan-2-yl)cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride IUPAC Name: 2,3-di(propan-2-yl)cyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Traditional Name: 2,3-diisopropylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Formula: C56H64Cl2Zr2-2 MolecularWeight: 990.46136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC[C-]=C1C(C)C.CC(C)C1=CC[C-]=C1C(C)C.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

Isomeric SMILES

CC(C)C1=CC[C-]=C1C(C)C.CC(C)C1=CC[C-]=C1C(C)C.CC(=[Zr+2])C1=CC=CC=C1.CC(=[Zr+2])C1=CC=CC=C1.[CH-]1C=CC2=CC=CC=C21.[CH-]1C=CC2=CC=CC=C21.[Cl-].[Cl-]

InChI

InChI=1S/2C11H17.2C9H7.2C8H8.2ClH.2Zr/c2*1-8(2)10-6-5-7-11(10)9(3)4;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-8-6-4-3-5-7-8;;;;/h2*6,8-9H,5H2,1-4H3;2*1-7H;2*3-7H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2