benzene-1,3-dicarboxylic acid; 1-phenylimidazole

Systemtic Name: benzene-1,3-dicarboxylic acid; 1-phenylimidazole Openeye Name: isophthalic acid; 1-phenylimidazole CAS Name: benzene-1,3-dicarboxylic acid; 1-phenylimidazole IUPAC Name: benzene-1,3-dicarboxylic acid; 1-phenylimidazole Traditional Name: isophthalic acid; 1-phenylimidazole Formula: C26H22N4O4 MolecularWeight: 454.47728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=CN=C2.C1=CC=C(C=C1)N2C=CN=C2.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=CN=C2.C1=CC=C(C=C1)N2C=CN=C2.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/2C9H8N2.C8H6O4/c2*1-2-4-9(5-3-1)11-7-6-10-8-11;9-7(10)5-2-1-3-6(4-5)8(11)12/h2*1-8H;1-4H,(H,9,10)(H,11,12)