2-tert-butylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+)

Systemtic Name: 2-tert-butylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) Openeye Name: 2-tert-butylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) CAS Name: 2-tert-butylcyclopenta-1,3-diene; 4-penten-2-olate; zirconium(4+) IUPAC Name: 2-tert-butylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) Traditional Name: 2-tert-butylcyclopenta-1,3-diene; pent-4-en-2-olate; zirconium(4+) Formula: C24H40O3Zr MolecularWeight: 467.7966

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C)[O-].CC(CC=C)[O-].CC(CC=C)[O-].CC(C)(C)C1=[C-]CC=C1.[Zr+4]

Isomeric SMILES

CC(CC=C)[O-].CC(CC=C)[O-].CC(CC=C)[O-].CC(C)(C)C1=[C-]CC=C1.[Zr+4]

InChI

InChI=1S/C9H13.3C5H9O.Zr/c1-9(2,3)8-6-4-5-7-8;3*1-3-4-5(2)6;/h4,6H,5H2,1-3H3;3*3,5H,1,4H2,2H3;/q4*-1;+4