2-methylcyclopenta-1,3-diene; 2-phenylphenol; zirconium(2+)

Systemtic Name: 2-methylcyclopenta-1,3-diene; 2-phenylphenol; zirconium(2+) Openeye Name: 2-methylcyclopenta-1,3-diene; 2-phenylphenol; zirconium(2+) CAS Name: 2-methylcyclopenta-1,3-diene; 2-phenylphenol; zirconium(2+) IUPAC Name: 2-methylcyclopenta-1,3-diene; 2-phenylphenol; zirconium(2+) Traditional Name: 2-methylcyclopenta-1,3-diene; 2-phenylphenol; zirconium(2+) Formula: C36H34O2Zr MolecularWeight: 589.87796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H10O.2C6H7.Zr/c2*13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;2*1-6-4-2-3-5-6;/h2*1-9,13H;2*2,4H,3H2,1H3;/q;;2*-1;+2