2-[2,4,5-tris(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[2,4,5-tris(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[2,4,5-tris(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[2,4,5-tris(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[2,4,5-tris(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[2,4,5-tris(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C34H22N8O12S4 MolecularWeight: 862.84488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)C3=CC(=C(C=C3C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)S(=O)(=O)O)C8=NC9=C(N8)C=C(C=C9)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)C3=CC(=C(C=C3C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)S(=O)(=O)O)C8=NC9=C(N8)C=C(C=C9)S(=O)(=O)O

InChI

InChI=1S/C34H22N8O12S4/c43-55(44,45)15-1-5-23-27(9-15)39-31(35-23)19-13-21(33-37-25-7-3-17(57(49,50)51)11-29(25)41-33)22(34-38-26-8-4-18(58(52,53)54)12-30(26)42-34)14-20(19)32-36-24-6-2-16(56(46,47)48)10-28(24)40-32/h1-14H,(H,35,39)(H,36,40)(H,37,41)(H,38,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)