3,5-bis(chloranyl)phenol; cyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 3,5-bis(chloranyl)phenol; cyclopenta-1,3-diene; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 3,5-dichlorophenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3,5-dichlorophenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3,5-dichlorophenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 3,5-dichlorophenol; zirconium(2+) Formula: C22H18Cl4O2Zr MolecularWeight: 547.41312

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=C(C=C(C=C1Cl)Cl)O.C1=C(C=C(C=C1Cl)Cl)O.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=C(C=C(C=C1Cl)Cl)O.C1=C(C=C(C=C1Cl)Cl)O.[Zr+2]

InChI

InChI=1S/2C6H4Cl2O.2C5H5.Zr/c2*7-4-1-5(8)3-6(9)2-4;2*1-2-4-5-3-1;/h2*1-3,9H;2*1-3H,4H2;/q;;2*-1;+2