3,5-bis(1H-benzimidazol-3-ium-2-yl)benzenesulfonate

Systemtic Name: 3,5-bis(1H-benzimidazol-3-ium-2-yl)benzenesulfonate Openeye Name: 3,5-bis(1H-benzimidazol-3-ium-2-yl)benzenesulfonate CAS Name: 3,5-bis(1H-benzimidazol-3-ium-2-yl)benzenesulfonate IUPAC Name: 3,5-bis(1H-benzimidazol-3-ium-2-yl)benzenesulfonate Traditional Name: 3,5-bis(1H-benzimidazol-3-ium-2-yl)besylate Formula: C20H15N4O3S+ MolecularWeight: 391.4231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)C3=CC(=CC(=C3)S(=O)(=O)[O-])C4=[NH+]C5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)C3=CC(=CC(=C3)S(=O)(=O)[O-])C4=[NH+]C5=CC=CC=C5N4

InChI

InChI=1S/C20H14N4O3S/c25-28(26,27)14-10-12(19-21-15-5-1-2-6-16(15)22-19)9-13(11-14)20-23-17-7-3-4-8-18(17)24-20/h1-11H,(H,21,22)(H,23,24)(H,25,26,27)/p+1