cyclopenta-1,3-diene; 2,4,5-trimethylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 2,4,5-trimethylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 2,4,5-trimethylphenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 2,4,5-trimethylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 2,4,5-trimethylphenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 2,4,5-trimethylphenol; zirconium(2+) Formula: C28H34O2Zr MolecularWeight: 493.79236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C.CC1=CC(=C(C=C1C)O)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C.CC1=CC(=C(C=C1C)O)C.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C9H12O.2C5H5.Zr/c2*1-6-4-8(3)9(10)5-7(6)2;2*1-2-4-5-3-1;/h2*4-5,10H,1-3H3;2*1-3H,4H2;/q;;2*-1;+2