2-[6-(1H-benzimidazol-2-yl)-2,3-disulfo-phenyl]-1H-benzimidazole-5,6-disulfonic acid

Systemtic Name: 2-[6-(1H-benzimidazol-2-yl)-2,3-disulfo-phenyl]-1H-benzimidazole-5,6-disulfonic acid Openeye Name: 2-[6-(1H-benzimidazol-2-yl)-2,3-disulfo-phenyl]-1H-benzimidazole-5,6-disulfonic acid CAS Name: 2-[6-(1H-benzimidazol-2-yl)-2,3-disulfophenyl]-1H-benzimidazole-5,6-disulfonic acid IUPAC Name: 2-[6-(1H-benzimidazol-2-yl)-2,3-disulfophenyl]-1H-benzimidazole-5,6-disulfonic acid Traditional Name: 2-[6-(1H-benzimidazol-2-yl)-2,3-disulfo-phenyl]-1H-benzimidazole-5,6-disulfonic acid Formula: C20H14N4O12S4 MolecularWeight: 630.60476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=CC(=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=CC(=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

InChI

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