disodium 2-[4-(4,6-disulfobenzimidazol-3-id-2-yl)phenyl]benzimidazol-3-ide-4,6-disulfonic acid

Systemtic Name: disodium 2-[4-(4,6-disulfobenzimidazol-3-id-2-yl)phenyl]benzimidazol-3-ide-4,6-disulfonic acid Openeye Name: disodium 2-[4-(4,6-disulfobenzimidazol-3-id-2-yl)phenyl]benzimidazol-3-ide-4,6-disulfonic acid CAS Name: disodium 2-[4-(4,6-disulfo-2-benzimidazol-3-idyl)phenyl]benzimidazol-3-ide-4,6-disulfonic acid IUPAC Name: disodium 2-[4-(4,6-disulfobenzimidazol-3-id-2-yl)phenyl]benzimidazol-3-ide-4,6-disulfonic acid Traditional Name: disodium 2-[4-(4,6-disulfobenzimidazol-3-id-2-yl)phenyl]benzimidazol-3-ide-4,6-disulfonic acid Formula: C20H12N4Na2O12S4 MolecularWeight: 674.56842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=CC(=CC(=C3[N-]2)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=CC(=CC(=C5[N-]4)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=CC(=CC(=C3[N-]2)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=CC(=CC(=C5[N-]4)S(=O)(=O)O)S(=O)(=O)O.[Na+].[Na+]

InChI

InChI=1S/C20H12N4O12S4.2Na/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;;/h1-8H,(H4-2,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36);;/q-2;2*+1