2,2-dimethylpropanoate; 1-methylinden-1-ide; zirconium(2+)

Systemtic Name: 2,2-dimethylpropanoate; 1-methylinden-1-ide; zirconium(2+) Openeye Name: 2,2-dimethylpropanoate; 1-methylinden-1-ide; zirconium(2+) CAS Name: 2,2-dimethylpropanoate; 1-methylinden-1-ide; zirconium(2+) IUPAC Name: 2,2-dimethylpropanoate; 1-methylinden-1-ide; zirconium(2+) Traditional Name: 2,2-dimethylpropionate; 1-methylinden-1-ide; zirconium(2+) Formula: C45H54O6Zr3 MolecularWeight: 964.57866

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Descriptors Computed from Structure

Canonical SMILES:

C[C-]1C=CC2=CC=CC=C12.C[C-]1C=CC2=CC=CC=C12.C[C-]1C=CC2=CC=CC=C12.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zr+2].[Zr+2].[Zr+2]

Isomeric SMILES

C[C-]1C=CC2=CC=CC=C12.C[C-]1C=CC2=CC=CC=C12.C[C-]1C=CC2=CC=CC=C12.CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].CC(C)(C)C(=O)[O-].[Zr+2].[Zr+2].[Zr+2]

InChI

InChI=1S/3C10H9.3C5H10O2.3Zr/c3*1-8-6-7-9-4-2-3-5-10(8)9;3*1-5(2,3)4(6)7;;;/h3*2-7H,1H3;3*1-3H3,(H,6,7);;;/q3*-1;;;;3*+2/p-3