2,2-dimethylpropanoate; 1H-inden-1-ide; zirconium(3+)

Systemtic Name: 2,2-dimethylpropanoate; 1H-inden-1-ide; zirconium(3+) Openeye Name: 2,2-dimethylpropanoate; 1H-inden-1-ide; zirconium(3+) CAS Name: 2,2-dimethylpropanoate; 1H-inden-1-ide; zirconium(3+) IUPAC Name: 2,2-dimethylpropanoate; 1H-inden-1-ide; zirconium(3+) Traditional Name: 2,2-dimethylpropionate; 1H-inden-1-ide; zirconium(3+) Formula: C24H34O6Zr- MolecularWeight: 509.74716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[CH-]1C=CC2=CC=CC=C21.[Zr+3]

Isomeric SMILES

CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[CH-]1C=CC2=CC=CC=C21.[Zr+3]

InChI

InChI=1S/C9H7.3C5H10O2.Zr/c1-2-5-9-7-3-6-8(9)4-1;3*1-5(2,3)4(6)7;/h1-7H;3*1-3H3,(H,6,7);/q-1;;;;+3/p-3