5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid; pyridine-2,4,6-tricarboxylic acid

Systemtic Name: 5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid; pyridine-2,4,6-tricarboxylic acid Openeye Name: 5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid; pyridine-2,4,6-tricarboxylic acid CAS Name: 5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid; pyridine-2,4,6-tricarboxylic acid IUPAC Name: 5-(4-carboxyphenyl)benzene-1,3-dicarboxylic acid; pyridine-2,4,6-tricarboxylic acid Traditional Name: 5-(4-carboxyphenyl)isophthalic acid; pyridine-2,4,6-tricarboxylic acid Formula: C23H15NO12 MolecularWeight: 497.3647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O.C1=C(C=C(N=C1C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C(=O)O)C(=O)O)C(=O)O.C1=C(C=C(N=C1C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H10O6.C8H5NO6/c16-13(17)9-3-1-8(2-4-9)10-5-11(14(18)19)7-12(6-10)15(20)21;10-6(11)3-1-4(7(12)13)9-5(2-3)8(14)15/h1-7H,(H,16,17)(H,18,19)(H,20,21);1-2H,(H,10,11)(H,12,13)(H,14,15)