4-[2-oxidanylidene-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic acid

Systemtic Name: 4-[2-oxidanylidene-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic acid Openeye Name: 4-[2-oxo-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic acid CAS Name: 4-[2-oxo-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic acid IUPAC Name: 4-[2-oxo-5-(4-sulfophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonic acid Traditional Name: 4-[2-keto-5-(4-sulfophenyl)-4-imidazolin-4-yl]besylic acid Formula: C15H12N2O7S2 MolecularWeight: 396.39498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(NC(=O)N2)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(NC(=O)N2)C3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H12N2O7S2/c18-15-16-13(9-1-5-11(6-2-9)25(19,20)21)14(17-15)10-3-7-12(8-4-10)26(22,23)24/h1-8H,(H2,16,17,18)(H,19,20,21)(H,22,23,24)