3-[2-(3-sulfophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid

Systemtic Name: 3-[2-(3-sulfophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid Openeye Name: 3-[2-(3-sulfophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid CAS Name: 3-[2-(3-sulfophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid IUPAC Name: 3-[2-(3-sulfophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]benzenesulfonic acid Traditional Name: 3-[2-(3-sulfophenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-6-yl]besylic acid Formula: C20H14N4O6S2 MolecularWeight: 470.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)O)C2=NC3=CC4=C(C=C3N2)NC(=N4)C5=CC(=CC=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)O)C2=NC3=CC4=C(C=C3N2)NC(=N4)C5=CC(=CC=C5)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O6S2/c25-31(26,27)13-5-1-3-11(7-13)19-21-15-9-17-18(10-16(15)22-19)24-20(23-17)12-4-2-6-14(8-12)32(28,29)30/h1-10H,(H,21,22)(H,23,24)(H,25,26,27)(H,28,29,30)