cyclopenta-1,3-diene; 2-ethyl-1H-indene; zirconium(4+); trichloride

Systemtic Name: cyclopenta-1,3-diene; 2-ethyl-1H-indene; zirconium(4+); trichloride Openeye Name: cyclopenta-1,3-diene; 2-ethyl-1H-indene; zirconium(4+); trichloride CAS Name: cyclopenta-1,3-diene; 2-ethyl-1H-indene; zirconium(4+); trichloride IUPAC Name: cyclopenta-1,3-diene; 2-ethyl-1H-indene; zirconium(4+); trichloride Traditional Name: cyclopenta-1,3-diene; 2-ethyl-1H-indene; zirconium(4+); trichloride Formula: C16H17Cl3Zr MolecularWeight: 406.88918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2C1.C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Zr+4]

Isomeric SMILES

CCC1=CC2=CC=CC=C2C1.C1C=CC=[C-]1.[Cl-].[Cl-].[Cl-].[Zr+4]

InChI

InChI=1S/C11H12.C5H5.3ClH.Zr/c1-2-9-7-10-5-3-4-6-11(10)8-9;1-2-4-5-3-1;;;;/h3-7H,2,8H2,1H3;1-3H,4H2;3*1H;/q;-1;;;;+4/p-3