2,4-bis(chloranyl)phenol; cyclopenta-1,4-dien-1-ylbenzene; zirconium(2+)

Systemtic Name: 2,4-bis(chloranyl)phenol; cyclopenta-1,4-dien-1-ylbenzene; zirconium(2+) Openeye Name: cyclopenta-1,4-dien-1-ylbenzene; 2,4-dichlorophenol; zirconium(2+) CAS Name: 1-cyclopenta-1,4-dienylbenzene; 2,4-dichlorophenol; zirconium(2+) IUPAC Name: cyclopenta-1,4-dien-1-ylbenzene; 2,4-dichlorophenol; zirconium(2+) Traditional Name: cyclopenta-1,4-dien-1-ylbenzene; 2,4-dichlorophenol; zirconium(2+) Formula: C34H26Cl4O2Zr MolecularWeight: 699.60504

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=[C-]1)C2=CC=CC=C2.C1C=CC(=[C-]1)C2=CC=CC=C2.C1=CC(=C(C=C1Cl)Cl)O.C1=CC(=C(C=C1Cl)Cl)O.[Zr+2]

Isomeric SMILES

C1C=CC(=[C-]1)C2=CC=CC=C2.C1C=CC(=[C-]1)C2=CC=CC=C2.C1=CC(=C(C=C1Cl)Cl)O.C1=CC(=C(C=C1Cl)Cl)O.[Zr+2]

InChI

InChI=1S/2C11H9.2C6H4Cl2O.Zr/c2*1-2-6-10(7-3-1)11-8-4-5-9-11;2*7-4-1-2-6(9)5(8)3-4;/h2*1-4,6-8H,5H2;2*1-3,9H;/q2*-1;;;+2