cyclopenta-1,4-dien-1-ylcyclohexane; 4-iodanylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,4-dien-1-ylcyclohexane; 4-iodanylphenol; zirconium(2+) Openeye Name: cyclopenta-1,4-dien-1-ylcyclohexane; 4-iodophenol; zirconium(2+) CAS Name: 1-cyclopenta-1,4-dienylcyclohexane; 4-iodophenol; zirconium(2+) IUPAC Name: cyclopenta-1,4-dien-1-ylcyclohexane; 4-iodophenol; zirconium(2+) Traditional Name: cyclopenta-1,4-dien-1-ylcyclohexane; 4-iodophenol; zirconium(2+) Formula: C34H40I2O2Zr MolecularWeight: 825.71314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=[C-]CC=C2.C1CCC(CC1)C2=[C-]CC=C2.C1=CC(=CC=C1O)I.C1=CC(=CC=C1O)I.[Zr+2]

Isomeric SMILES

C1CCC(CC1)C2=[C-]CC=C2.C1CCC(CC1)C2=[C-]CC=C2.C1=CC(=CC=C1O)I.C1=CC(=CC=C1O)I.[Zr+2]

InChI

InChI=1S/2C11H15.2C6H5IO.Zr/c2*1-2-6-10(7-3-1)11-8-4-5-9-11;2*7-5-1-3-6(8)4-2-5;/h2*4,8,10H,1-3,5-7H2;2*1-4,8H;/q2*-1;;;+2