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

Systemtic Name: 3-chloranylphenol; cyclopenta-1,3-diene; zirconium(2+) Openeye Name: 3-chlorophenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: 3-chlorophenol; cyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3-chlorophenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3-chlorophenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C22H20Cl2O2Zr MolecularWeight: 478.523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C6H5ClO.2C5H5.Zr/c2*7-5-2-1-3-6(8)4-5;2*1-2-4-5-3-1;/h2*1-4,8H;2*1-3H,4H2;/q;;2*-1;+2