5-[2-(2,4-disulfo-1H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4-disulfonic acid

Systemtic Name: 5-[2-(2,4-disulfo-1H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4-disulfonic acid Openeye Name: 5-[2-(2,4-disulfo-1H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4-disulfonic acid CAS Name: 5-[2-(2,4-disulfo-1H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4-disulfonic acid IUPAC Name: 5-[2-(2,4-disulfo-1H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4-disulfonic acid Traditional Name: 5-[2-(2,4-disulfo-1H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4-disulfonic acid Formula: C20H14N4O12S4 MolecularWeight: 630.60476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C3=C(C=C2)NC(=N3)S(=O)(=O)O)S(=O)(=O)O)C4=C(C5=C(C=C4)NC(=N5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C3=C(C=C2)NC(=N3)S(=O)(=O)O)S(=O)(=O)O)C4=C(C5=C(C=C4)NC(=N5)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O12S4/c25-37(26,27)17-11(5-7-13-15(17)23-19(21-13)39(31,32)33)9-3-1-2-4-10(9)12-6-8-14-16(18(12)38(28,29)30)24-20(22-14)40(34,35)36/h1-8H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)