disodium 2-[4-(1,6-disulfobenzimidazol-2-yl)phenyl]benzimidazole-1,6-disulfonic acid

Systemtic Name: disodium 2-[4-(1,6-disulfobenzimidazol-2-yl)phenyl]benzimidazole-1,6-disulfonic acid Openeye Name: disodium 2-[4-(1,6-disulfobenzimidazol-2-yl)phenyl]benzimidazole-1,6-disulfonic acid CAS Name: disodium 2-[4-(1,6-disulfo-2-benzimidazolyl)phenyl]benzimidazole-1,6-disulfonic acid IUPAC Name: disodium 2-[4-(1,6-disulfobenzimidazol-2-yl)phenyl]benzimidazole-1,6-disulfonic acid Traditional Name: disodium 2-[4-(1,6-disulfobenzimidazol-2-yl)phenyl]benzimidazole-1,6-disulfonic acid Formula: C20H14N4Na2O12S4+2 MolecularWeight: 676.5843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2S(=O)(=O)O)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4S(=O)(=O)O)C=C(C=C5)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2S(=O)(=O)O)C=C(C=C3)S(=O)(=O)O)C4=NC5=C(N4S(=O)(=O)O)C=C(C=C5)S(=O)(=O)O.[Na+].[Na+]

InChI

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