disodium 6-sulfo-2-[4-(6-sulfo-4-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate

Systemtic Name: disodium 6-sulfo-2-[4-(6-sulfo-4-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate Openeye Name: disodium 6-sulfo-2-[4-(6-sulfo-4-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate CAS Name: disodium 6-sulfo-2-[4-(6-sulfo-4-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate IUPAC Name: disodium 6-sulfo-2-[4-(6-sulfo-4-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate Traditional Name: disodium 6-sulfo-2-[4-(6-sulfo-4-sulfonato-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonate Formula: C20H12N4Na2O12S4 MolecularWeight: 674.56842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O12S4.2Na/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,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36);;/q;2*+1/p-2