2,3-diethylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride

Systemtic Name: 2,3-diethylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Openeye Name: 2,3-diethylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride CAS Name: 2,3-diethylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride IUPAC Name: 2,3-diethylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Traditional Name: 2,3-diethylcyclopenta-1,3-diene; 1H-inden-1-ide; 1-phenylethylidenezirconium(2+); dichloride Formula: C52H56Cl2Zr2-2 MolecularWeight: 934.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC[C-]=C1CC.CCC1=CC[C-]=C1CC.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

CCC1=CC[C-]=C1CC.CCC1=CC[C-]=C1CC.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/2C9H7.2C9H13.2C8H8.2ClH.2Zr/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-8-6-5-7-9(8)4-2;2*1-2-8-6-4-3-5-7-8;;;;/h2*1-7H;2*6H,3-5H2,1-2H3;2*3-7H,1H3;2*1H;;/q4*-1;;;;;2*+2/p-2