2-[4-(4,6-disulfo-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid

Systemtic Name: 2-[4-(4,6-disulfo-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-[4-(4,6-disulfo-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-[4-(4,6-disulfo-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-[4-(4,6-disulfo-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-[4-(4,6-disulfo-2,3-dihydro-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Formula: C20H16N4O12S4 MolecularWeight: 632.62064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2NC3=CC(=CC(=C3N2)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2NC3=CC(=CC(=C3N2)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H16N4O12S4/c25-37(26,27)11-5-13-17(15(7-11)39(31,32)33)23-19(21-13)9-1-2-10(4-3-9)20-22-14-6-12(38(28,29)30)8-16(18(14)24-20)40(34,35)36/h1-8,19,21,23H,(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)