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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)O.CCC1=CC(=CC=C1)O.CC(C)(C)C1=[C-]CC=C1.CC(C)(C)C1=[C-]CC=C1.[Zr+2]

Isomeric SMILES

CCC1=CC(=CC=C1)O.CCC1=CC(=CC=C1)O.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*1-2-7-4-3-5-8(9)6-7;/h2*4,6H,5H2,1-3H3;2*3-6,9H,2H2,1H3;/q2*-1;;;+2