sodium 2-[4-(5,6-disulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5,6-disulfonic acid

Systemtic Name: sodium 2-[4-(5,6-disulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5,6-disulfonic acid Openeye Name: sodium 2-[4-(5,6-disulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5,6-disulfonic acid CAS Name: sodium 2-[4-(5,6-disulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5,6-disulfonic acid IUPAC Name: sodium 2-[4-(5,6-disulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5,6-disulfonic acid Traditional Name: sodium 2-[4-(5,6-disulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-5,6-disulfonic acid Formula: C20H14N4NaO12S4+ MolecularWeight: 653.59453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=CC(=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N2)S(=O)(=O)O)S(=O)(=O)O)C4=NC5=CC(=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

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