disodium 4-[2-oxidanylidene-5-(4-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate

Systemtic Name: disodium 4-[2-oxidanylidene-5-(4-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate Openeye Name: disodium 4-[2-oxo-5-(4-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate CAS Name: disodium 4-[2-oxo-5-(4-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate IUPAC Name: disodium 4-[2-oxo-5-(4-sulfonatophenyl)-1,3-dihydroimidazol-4-yl]benzenesulfonate Traditional Name: disodium 4-[2-keto-5-(4-sulfonatophenyl)-4-imidazolin-4-yl]besylate Formula: C15H10N2Na2O7S2 MolecularWeight: 440.35864

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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-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=C(NC(=O)N2)C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H12N2O7S2.2Na/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);;/q;2*+1/p-2