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

Systemtic Name: cyclopenta-1,3-diene; 2-ethynylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2-ethynylphenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-ethynylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2-ethynylphenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2-ethynylphenol; zirconium(2+) Formula: C26H22O2Zr MolecularWeight: 457.67568

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=CC=C1O.C#CC1=CC=CC=C1O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

C#CC1=CC=CC=C1O.C#CC1=CC=CC=C1O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C8H6O.2C5H5.Zr/c2*1-2-7-5-3-4-6-8(7)9;2*1-2-4-5-3-1;/h2*1,3-6,9H;2*1-3H,4H2;/q;;2*-1;+2