disodium 6-sulfo-1-[4-(6-sulfo-1-sulfonato-benzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1-sulfonate

Systemtic Name: disodium 6-sulfo-1-[4-(6-sulfo-1-sulfonato-benzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1-sulfonate Openeye Name: disodium 6-sulfo-1-[4-(6-sulfo-1-sulfonato-benzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1-sulfonate CAS Name: disodium 6-sulfo-1-[4-(6-sulfo-1-sulfonato-1-benzimidazol-1-iumyl)phenyl]-1-benzimidazol-1-iumsulfonate IUPAC Name: disodium 6-sulfo-1-[4-(6-sulfo-1-sulfonatobenzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1-sulfonate Traditional Name: disodium 6-sulfo-1-[4-(6-sulfo-1-sulfonato-benzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1-sulfonate Formula: C20H14N4Na2O12S4+2 MolecularWeight: 676.5843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+]2(C=NC3=C2C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-])[N+]4(C=NC5=C4C=C(C=C5)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1[N+]2(C=NC3=C2C=C(C=C3)S(=O)(=O)O)S(=O)(=O)[O-])[N+]4(C=NC5=C4C=C(C=C5)S(=O)(=O)O)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H14N4O12S4.2Na/c25-37(26,27)15-5-7-17-19(9-15)23(11-21-17,39(31,32)33)13-1-2-14(4-3-13)24(40(34,35)36)12-22-18-8-6-16(10-20(18)24)38(28,29)30;;/h1-12H,(H2-2,25,26,27,28,29,30,31,32,33,34,35,36);;/q;2*+1