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

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)-2,6-disulfo-phenyl]benzimidazole-1,6-disulfonic acid Openeye Name: 2-[4-(1H-benzimidazol-2-yl)-2,6-disulfo-phenyl]benzimidazole-1,6-disulfonic acid CAS Name: 2-[4-(1H-benzimidazol-2-yl)-2,6-disulfophenyl]benzimidazole-1,6-disulfonic acid IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)-2,6-disulfophenyl]benzimidazole-1,6-disulfonic acid Traditional Name: 2-[4-(1H-benzimidazol-2-yl)-2,6-disulfo-phenyl]benzimidazole-1,6-disulfonic acid Formula: C20H14N4O12S4 MolecularWeight: 630.60476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC(=C(C(=C3)S(=O)(=O)O)C4=NC5=C(N4S(=O)(=O)O)C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=C(C(=C3)S(=O)(=O)O)C4=NC5=C(N4S(=O)(=O)O)C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

InChI

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