cyclopenta-1,4-dien-1-ylbenzene; 3-phenylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,4-dien-1-ylbenzene; 3-phenylphenol; zirconium(2+) Openeye Name: cyclopenta-1,4-dien-1-ylbenzene; 3-phenylphenol; zirconium(2+) CAS Name: 1-cyclopenta-1,4-dienylbenzene; 3-phenylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,4-dien-1-ylbenzene; 3-phenylphenol; zirconium(2+) Traditional Name: cyclopenta-1,4-dien-1-ylbenzene; 3-phenylphenol; zirconium(2+) Formula: C46H38O2Zr MolecularWeight: 714.01672

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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=C1)C2=CC(=CC=C2)O.C1=CC=C(C=C1)C2=CC(=CC=C2)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=C1)C2=CC(=CC=C2)O.C1=CC=C(C=C1)C2=CC(=CC=C2)O.[Zr+2]

InChI

InChI=1S/2C12H10O.2C11H9.Zr/c2*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;2*1-2-6-10(7-3-1)11-8-4-5-9-11;/h2*1-9,13H;2*1-4,6-8H,5H2;/q;;2*-1;+2