disodium 2-[4-(4,6-disulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfinate

Systemtic Name: disodium 2-[4-(4,6-disulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfinate Openeye Name: disodium 2-[4-(4,6-disulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfinate CAS Name: disodium 2-[4-(4,6-disulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfinate IUPAC Name: disodium 2-[4-(4,6-disulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfinate Traditional Name: disodium 2-[4-(4,6-disulfo-1H-benzimidazol-2-yl)phenyl]-7-sulfo-3H-benzimidazole-5-sulfinate Formula: C20H13N4Na2O11S4+ MolecularWeight: 659.57696

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H14N4O11S4.2Na/c25-36(26)11-5-13-17(15(6-11)38(30,31)32)23-19(21-13)9-1-3-10(4-2-9)20-22-14-7-12(37(27,28)29)8-16(18(14)24-20)39(33,34)35;;/h1-8H,(H,21,23)(H,22,24)(H,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-1