benzene-1,2,4-tricarboxylic acid; 4-(dioxidanylmethyl)phthalic acid; zirconium

Systemtic Name: benzene-1,2,4-tricarboxylic acid; 4-(dioxidanylmethyl)phthalic acid; zirconium Openeye Name: benzene-1,2,4-tricarboxylic acid; 4-(hydroperoxymethyl)phthalic acid; zirconium CAS Name: benzene-1,2,4-tricarboxylic acid; 4-(hydroperoxymethyl)phthalic acid; zirconium IUPAC Name: benzene-1,2,4-tricarboxylic acid; 4-(hydroperoxymethyl)phthalic acid; zirconium Traditional Name: 4-(hydroperoxymethyl)phthalic acid; trimellitic acid; zirconium Formula: C18H14O12Zr MolecularWeight: 513.52056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COO)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

C1=CC(=C(C=C1COO)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/C9H8O6.C9H6O6.Zr/c10-8(11)6-2-1-5(4-15-14)3-7(6)9(12)13;10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;/h1-3,14H,4H2,(H,10,11)(H,12,13);1-3H,(H,10,11)(H,12,13)(H,14,15);