3-chloranylphenol; 1,3-ditert-butylcyclopenta-1,3-diene; zirconium

Systemtic Name: 3-chloranylphenol; 1,3-ditert-butylcyclopenta-1,3-diene; zirconium Openeye Name: 3-chlorophenol; 1,3-ditert-butylcyclopenta-1,3-diene; zirconium CAS Name: 3-chlorophenol; 1,3-ditert-butylcyclopenta-1,3-diene; zirconium IUPAC Name: 3-chlorophenol; 1,3-ditert-butylcyclopenta-1,3-diene; zirconium Traditional Name: 3-chlorophenol; 1,3-ditert-butylcyclopenta-1,3-diene; zirconium Formula: C38H54Cl2O2Zr MolecularWeight: 704.96416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC1)C(C)(C)C.CC(C)(C)C1=CC(=CC1)C(C)(C)C.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr]

Isomeric SMILES

CC(C)(C)C1=CC(=CC1)C(C)(C)C.CC(C)(C)C1=CC(=CC1)C(C)(C)C.C1=CC(=CC(=C1)Cl)O.C1=CC(=CC(=C1)Cl)O.[Zr]

InChI

InChI=1S/2C13H22.2C6H5ClO.Zr/c2*1-12(2,3)10-7-8-11(9-10)13(4,5)6;2*7-5-2-1-3-6(8)4-5;/h2*7,9H,8H2,1-6H3;2*1-4,8H;