1-[4-(1,6-disulfonatobenzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1,6-disulfonate

Systemtic Name: 1-[4-(1,6-disulfonatobenzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1,6-disulfonate Openeye Name: 1-[4-(1,6-disulfonatobenzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1,6-disulfonate CAS Name: 1-[4-(1,6-disulfonato-1-benzimidazol-1-iumyl)phenyl]benzimidazol-1-ium-1,6-disulfonate IUPAC Name: 1-[4-(1,6-disulfonatobenzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1,6-disulfonate Traditional Name: 1-[4-(1,6-disulfonatobenzimidazol-1-ium-1-yl)phenyl]benzimidazol-1-ium-1,6-disulfonate Formula: C20H12N4O12S4-2 MolecularWeight: 628.58888

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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-]

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-]

InChI

InChI=1S/C20H14N4O12S4/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)/p-2