sodium 2-(4-sulfophenyl)-1H-imidazole-4,5-dicarboxylic acid

Systemtic Name: sodium 2-(4-sulfophenyl)-1H-imidazole-4,5-dicarboxylic acid Openeye Name: sodium 2-(4-sulfophenyl)-1H-imidazole-4,5-dicarboxylic acid CAS Name: sodium 2-(4-sulfophenyl)-1H-imidazole-4,5-dicarboxylic acid IUPAC Name: sodium 2-(4-sulfophenyl)-1H-imidazole-4,5-dicarboxylic acid Traditional Name: sodium 2-(4-sulfophenyl)-1H-imidazole-4,5-dicarboxylic acid Formula: C11H8N2NaO7S+ MolecularWeight: 335.24519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=C(N2)C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=C(N2)C(=O)O)C(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H8N2O7S.Na/c14-10(15)7-8(11(16)17)13-9(12-7)5-1-3-6(4-2-5)21(18,19)20;/h1-4H,(H,12,13)(H,14,15)(H,16,17)(H,18,19,20);/q;+1