4-(dimethylamino)phthalic acid; 4-methylphthalic acid; zirconium

Systemtic Name: 4-(dimethylamino)phthalic acid; 4-methylphthalic acid; zirconium Openeye Name: 4-(dimethylamino)phthalic acid; 4-methylphthalic acid; zirconium CAS Name: 4-(dimethylamino)phthalic acid; 4-methylphthalic acid; zirconium IUPAC Name: 4-(dimethylamino)phthalic acid; 4-methylphthalic acid; zirconium Traditional Name: 4-(dimethylamino)phthalic acid; 4-methylphthalic acid; zirconium Formula: C19H19NO8Zr MolecularWeight: 480.58006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C(=O)O.CN(C)C1=CC(=C(C=C1)C(=O)O)C(=O)O.[Zr]

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C(=O)O.CN(C)C1=CC(=C(C=C1)C(=O)O)C(=O)O.[Zr]

InChI

InChI=1S/C10H11NO4.C9H8O4.Zr/c1-11(2)6-3-4-7(9(12)13)8(5-6)10(14)15;1-5-2-3-6(8(10)11)7(4-5)9(12)13;/h3-5H,1-2H3,(H,12,13)(H,14,15);2-4H,1H3,(H,10,11)(H,12,13);