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

Systemtic Name: cyclopenta-1,4-dien-1-ylcyclohexane; 3-iodanylphenol; zirconium(2+) Openeye Name: cyclopenta-1,4-dien-1-ylcyclohexane; 3-iodophenol; zirconium(2+) CAS Name: 1-cyclopenta-1,4-dienylcyclohexane; 3-iodophenol; zirconium(2+) IUPAC Name: cyclopenta-1,4-dien-1-ylcyclohexane; 3-iodophenol; zirconium(2+) Traditional Name: cyclopenta-1,4-dien-1-ylcyclohexane; 3-iodophenol; zirconium(2+) Formula: C34H40I2O2Zr MolecularWeight: 825.71314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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