cyclopenta-1,3-diene; 3,5-ditert-butylphenol; zirconium(2+)

Systemtic Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; zirconium(2+) Openeye Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; zirconium(2+) CAS Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; zirconium(2+) IUPAC Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; zirconium(2+) Traditional Name: cyclopenta-1,3-diene; 3,5-ditert-butylphenol; zirconium(2+) Formula: C38H54O2Zr MolecularWeight: 634.05816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H22O.2C5H5.Zr/c2*1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10;2*1-2-4-5-3-1;/h2*7-9,15H,1-6H3;2*1-3H,4H2;/q;;2*-1;+2