2-tert-butylcyclopenta-1,3-diene; 2,4-dimethylphenol; zirconium(2+)

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; 2,4-dimethylphenol; zirconium(2+) Openeye Name: 2-tert-butylcyclopenta-1,3-diene; 2,4-dimethylphenol; zirconium(2+) CAS Name: 2-tert-butylcyclopenta-1,3-diene; 2,4-dimethylphenol; zirconium(2+) IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; 2,4-dimethylphenol; zirconium(2+) Traditional Name: 2-tert-butylcyclopenta-1,3-diene; 2,4-xylenol; zirconium(2+) Formula: C34H46O2Zr MolecularWeight: 577.95184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C9H13.2C8H10O.Zr/c2*1-9(2,3)8-6-4-5-7-8;2*1-6-3-4-8(9)7(2)5-6;/h2*4,6H,5H2,1-3H3;2*3-5,9H,1-2H3;/q2*-1;;;+2