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

Systemtic Name: cyclopenta-1,3-diene; 2-(phenylmethyl)phenol; zirconium(2+) Openeye Name: 2-benzylphenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-(phenylmethyl)phenol; zirconium(2+) IUPAC Name: 2-benzylphenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2-benzylphenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C36H34O2Zr MolecularWeight: 589.87796

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)CC2=CC=CC=C2O.C1=CC=C(C=C1)CC2=CC=CC=C2O.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC=C(C=C1)CC2=CC=CC=C2O.C1=CC=C(C=C1)CC2=CC=CC=C2O.[Zr+2]

InChI

InChI=1S/2C13H12O.2C5H5.Zr/c2*14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11;2*1-2-4-5-3-1;/h2*1-9,14H,10H2;2*1-3H,4H2;/q;;2*-1;+2