benzoic acid; ethanoic acid; phthalic acid; zirconium

Systemtic Name: benzoic acid; ethanoic acid; phthalic acid; zirconium Openeye Name: acetic acid; benzoic acid; phthalic acid; zirconium CAS Name: acetic acid; benzoic acid; phthalic acid; zirconium IUPAC Name: acetic acid; benzoic acid; phthalic acid; zirconium Traditional Name: acetic acid; benzoic acid; phthalic acid; zirconium Formula: C34H32O16Zr MolecularWeight: 787.83228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6O4.2C7H6O2.2C2H4O2.Zr/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;2*8-7(9)6-4-2-1-3-5-6;2*1-2(3)4;/h2*1-4H,(H,9,10)(H,11,12);2*1-5H,(H,8,9);2*1H3,(H,3,4);