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

Systemtic Name: 2,2-dimethylpropanoate; 2-methylcyclopenta-1,3-diene; zirconium(2+) Openeye Name: 2,2-dimethylpropanoate; 2-methylcyclopenta-1,3-diene; zirconium(2+) CAS Name: 2,2-dimethylpropanoate; 2-methylcyclopenta-1,3-diene; zirconium(2+) IUPAC Name: 2,2-dimethylpropanoate; 2-methylcyclopenta-1,3-diene; zirconium(2+) Traditional Name: 2,2-dimethylpropionate; 2-methylcyclopenta-1,3-diene; zirconium(2+) Formula: C33H48O6Zr3 MolecularWeight: 814.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.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

CC1=[C-]CC=C1.CC1=[C-]CC=C1.CC1=[C-]CC=C1.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/3C6H7.3C5H10O2.3Zr/c3*1-6-4-2-3-5-6;3*1-5(2,3)4(6)7;;;/h3*2,4H,3H2,1H3;3*1-3H3,(H,6,7);;;/q3*-1;;;;3*+2/p-3