4-ethanoylphthalic acid; zirconium

Systemtic Name: 4-ethanoylphthalic acid; zirconium Openeye Name: 4-acetylphthalic acid; zirconium CAS Name: 4-acetylphthalic acid; zirconium IUPAC Name: 4-acetylphthalic acid; zirconium Traditional Name: 4-acetylphthalic acid; zirconium Formula: C20H16O10Zr MolecularWeight: 507.55904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O.CC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O.CC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/2C10H8O5.Zr/c2*1-5(11)6-2-3-7(9(12)13)8(4-6)10(14)15;/h2*2-4H,1H3,(H,12,13)(H,14,15);