3-chloranylphenol; 2,5-ditert-butylcyclopenta-1,3-diene; zirconium(2+)

Systemtic Name: 3-chloranylphenol; 2,5-ditert-butylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 3-chlorophenol; 2,5-ditert-butylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 3-chlorophenol; 2,5-ditert-butylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 3-chlorophenol; 2,5-ditert-butylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 3-chlorophenol; 2,5-ditert-butylcyclopenta-1,3-diene; zirconium(2+) Formula: C38H52Cl2O2Zr MolecularWeight: 702.94828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H21.2C6H5ClO.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,1-6H3;2*1-4,8H;/q2*-1;;;+2