4,6-bis(1H-benzimidazol-2-yl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4,6-bis(1H-benzimidazol-2-yl)benzene-1,3-dicarboxylic acid Openeye Name: 4,6-bis(1H-benzimidazol-2-yl)benzene-1,3-dicarboxylic acid CAS Name: 4,6-bis(1H-benzimidazol-2-yl)benzene-1,3-dicarboxylic acid IUPAC Name: 4,6-bis(1H-benzimidazol-2-yl)benzene-1,3-dicarboxylic acid Traditional Name: 4,6-bis(1H-benzimidazol-2-yl)isophthalic acid Formula: C22H14N4O4 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC(=C(C=C3C(=O)O)C(=O)O)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=C(C=C3C(=O)O)C(=O)O)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H14N4O4/c27-21(28)13-10-14(22(29)30)12(20-25-17-7-3-4-8-18(17)26-20)9-11(13)19-23-15-5-1-2-6-16(15)24-19/h1-10H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)