4-chloranylbenzoic acid; 4-chloranylphthalic acid; ethanoic acid; zirconium

Systemtic Name: 4-chloranylbenzoic acid; 4-chloranylphthalic acid; ethanoic acid; zirconium Openeye Name: acetic acid; 4-chlorobenzoic acid; 4-chlorophthalic acid; zirconium CAS Name: acetic acid; 4-chlorobenzoic acid; 4-chlorophthalic acid; zirconium IUPAC Name: acetic acid; 4-chlorobenzoic acid; 4-chlorophthalic acid; zirconium Traditional Name: acetic acid; 4-chlorobenzoic acid; 4-chlorophthalic acid; zirconium Formula: C25H19Cl3O12Zr MolecularWeight: 708.99416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1=CC(=CC=C1C(=O)O)Cl.C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O.C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

CC(=O)O.C1=CC(=CC=C1C(=O)O)Cl.C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O.C1=CC(=C(C=C1Cl)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/2C8H5ClO4.C7H5ClO2.C2H4O2.Zr/c2*9-4-1-2-5(7(10)11)6(3-4)8(12)13;8-6-3-1-5(2-4-6)7(9)10;1-2(3)4;/h2*1-3H,(H,10,11)(H,12,13);1-4H,(H,9,10);1H3,(H,3,4);