7-[2-(2,5,6,7-tetrasulfo-3H-benzimidazol-4-yl)phenyl]-1H-benzimidazole-2,4,5,6-tetrasulfonic acid

Systemtic Name: 7-[2-(2,5,6,7-tetrasulfo-3H-benzimidazol-4-yl)phenyl]-1H-benzimidazole-2,4,5,6-tetrasulfonic acid Openeye Name: 7-[2-(2,5,6,7-tetrasulfo-3H-benzimidazol-4-yl)phenyl]-1H-benzimidazole-2,4,5,6-tetrasulfonic acid CAS Name: 7-[2-(2,5,6,7-tetrasulfo-3H-benzimidazol-4-yl)phenyl]-1H-benzimidazole-2,4,5,6-tetrasulfonic acid IUPAC Name: 7-[2-(2,5,6,7-tetrasulfo-3H-benzimidazol-4-yl)phenyl]-1H-benzimidazole-2,4,5,6-tetrasulfonic acid Traditional Name: 7-[2-(2,5,6,7-tetrasulfo-3H-benzimidazol-4-yl)phenyl]-1H-benzimidazole-2,4,5,6-tetrasulfonic acid Formula: C20H14N4O24S8 MolecularWeight: 950.85756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C3C(=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=C(N3)S(=O)(=O)O)C4=C5C(=C(C(=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=C(N5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C3C(=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=C(N3)S(=O)(=O)O)C4=C5C(=C(C(=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=C(N5)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O24S8/c25-49(26,27)13-7(9-11(23-19(21-9)55(43,44)45)15(51(31,32)33)17(13)53(37,38)39)5-3-1-2-4-6(5)8-10-12(24-20(22-10)56(46,47)48)16(52(34,35)36)18(54(40,41)42)14(8)50(28,29)30/h1-4H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)