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

Systemtic Name: cyclopenta-1,3-diene; 4-iodanylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 4-iodophenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 4-iodophenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 4-iodophenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 4-iodophenol; zirconium(2+) Formula: C22H20I2O2Zr MolecularWeight: 661.42594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC=C1O)I.C1=CC(=CC=C1O)I.[Zr+2]

Isomeric SMILES

C1C=CC=[C-]1.C1C=CC=[C-]1.C1=CC(=CC=C1O)I.C1=CC(=CC=C1O)I.[Zr+2]

InChI

InChI=1S/2C6H5IO.2C5H5.Zr/c2*7-5-1-3-6(8)4-2-5;2*1-2-4-5-3-1;/h2*1-4,8H;2*1-3H,4H2;/q;;2*-1;+2