6-[2-(2,6,7-trisulfo-3H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4,5-trisulfonic acid

Systemtic Name: 6-[2-(2,6,7-trisulfo-3H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4,5-trisulfonic acid Openeye Name: 6-[2-(2,6,7-trisulfo-3H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4,5-trisulfonic acid CAS Name: 6-[2-(2,6,7-trisulfo-3H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4,5-trisulfonic acid IUPAC Name: 6-[2-(2,6,7-trisulfo-3H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4,5-trisulfonic acid Traditional Name: 6-[2-(2,6,7-trisulfo-3H-benzimidazol-5-yl)phenyl]-1H-benzimidazole-2,4,5-trisulfonic acid Formula: C20H14N4O18S6 MolecularWeight: 790.73116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)N=C(N3)S(=O)(=O)O)C4=CC5=C(C(=C4S(=O)(=O)O)S(=O)(=O)O)N=C(N5)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=C(C(=C2S(=O)(=O)O)S(=O)(=O)O)N=C(N3)S(=O)(=O)O)C4=CC5=C(C(=C4S(=O)(=O)O)S(=O)(=O)O)N=C(N5)S(=O)(=O)O

InChI

InChI=1S/C20H14N4O18S6/c25-43(26,27)15-9(5-11-13(17(15)45(31,32)33)23-19(21-11)47(37,38)39)7-3-1-2-4-8(7)10-6-12-14(24-20(22-12)48(40,41)42)18(46(34,35)36)16(10)44(28,29)30/h1-6H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)