2-[4-(7-sulfo-5H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid

Systemtic Name: 2-[4-(7-sulfo-5H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Openeye Name: 2-[4-(7-sulfo-5H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid CAS Name: 2-[4-(7-sulfo-5H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid IUPAC Name: 2-[4-(7-sulfo-5H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Traditional Name: 2-[4-(7-sulfo-5H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4,6-disulfonic acid Formula: C20H14N4O9S3 MolecularWeight: 550.54156

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(=NC(=N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

Isomeric SMILES

C1C=C2C(=NC(=N2)C3=CC=C(C=C3)C4=NC5=C(C=C(C=C5N4)S(=O)(=O)O)S(=O)(=O)O)C(=C1)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O9S3/c25-34(26,27)12-8-14-18(16(9-12)36(31,32)33)24-20(22-14)11-6-4-10(5-7-11)19-21-13-2-1-3-15(17(13)23-19)35(28,29)30/h2-9H,1H2,(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)