cyclopenta-1,3-diene; 2-(trichloromethyl)phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-(trichloromethyl)phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2-(trichloromethyl)phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-(trichloromethyl)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2-(trichloromethyl)phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2-(trichloromethyl)phenol; zirconium(2+) Formula: C24H20Cl6O2Zr MolecularWeight: 644.3564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H5Cl3O.2C5H5.Zr/c2*8-7(9,10)5-3-1-2-4-6(5)11;2*1-2-4-5-3-1;/h2*1-4,11H;2*1-3H,4H2;/q;;2*-1;+2