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

Systemtic Name: 2-butylcyclopenta-1,3-diene; 2,2-dimethylpropanoate; zirconium(4+) Openeye Name: 2-butylcyclopenta-1,3-diene; 2,2-dimethylpropanoate; zirconium(4+) CAS Name: 2-butylcyclopenta-1,3-diene; 2,2-dimethylpropanoate; zirconium(4+) IUPAC Name: 2-butylcyclopenta-1,3-diene; 2,2-dimethylpropanoate; zirconium(4+) Traditional Name: 2-butylcyclopenta-1,3-diene; 2,2-dimethylpropionate; zirconium(4+) Formula: C24H40O6Zr MolecularWeight: 515.7948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[C-]CC=C1.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zr+4]

Isomeric SMILES

CCCCC1=[C-]CC=C1.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zr+4]

InChI

InChI=1S/C9H13.3C5H10O2.Zr/c1-2-3-6-9-7-4-5-8-9;3*1-5(2,3)4(6)7;/h4,7H,2-3,5-6H2,1H3;3*1-3H3,(H,6,7);/q-1;;;;+4/p-3