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

Systemtic Name: 3-cyclohexylphenol; cyclopenta-1,3-diene; zirconium(2+) Openeye Name: 3-cyclohexylphenol; cyclopenta-1,3-diene; zirconium(2+) CAS Name: 3-cyclohexylphenol; cyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3-cyclohexylphenol; cyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3-cyclohexylphenol; cyclopenta-1,3-diene; zirconium(2+) Formula: C34H42O2Zr MolecularWeight: 573.92008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC(=CC=C2)O.C1CCC(CC1)C2=CC(=CC=C2)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

Isomeric SMILES

C1CCC(CC1)C2=CC(=CC=C2)O.C1CCC(CC1)C2=CC(=CC=C2)O.C1C=CC=[C-]1.C1C=CC=[C-]1.[Zr+2]

InChI

InChI=1S/2C12H16O.2C5H5.Zr/c2*13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;2*1-2-4-5-3-1;/h2*4,7-10,13H,1-3,5-6H2;2*1-3H,4H2;/q;;2*-1;+2