cyclopenta-1,3-diene; 2-(4-methylphenyl)phenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2-(4-methylphenyl)phenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2-(p-tolyl)phenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2-(4-methylphenyl)phenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2-(4-methylphenyl)phenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2-(p-tolyl)phenol; zirconium(2+) Formula: C36H34O2Zr MolecularWeight: 589.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=CC=C2O.CC1=CC=C(C=C1)C2=CC=CC=C2O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=CC=C2O.CC1=CC=C(C=C1)C2=CC=CC=C2O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C13H12O.2C5H5.Zr/c2*1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;2*1-2-4-5-3-1;/h2*2-9,14H,1H3;2*1-3H,4H2;/q;;2*-1;+2