6-methyl-2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid

Systemtic Name: 6-methyl-2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Openeye Name: 6-methyl-2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid CAS Name: 6-methyl-2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid IUPAC Name: 6-methyl-2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Traditional Name: 6-methyl-2-[4-(4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(N4)C=CC=C5S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C1)S(=O)(=O)O)N=C(N2)C3=CC=C(C=C3)C4=NC5=C(N4)C=CC=C5S(=O)(=O)O

InChI

InChI=1S/C21H16N4O6S2/c1-11-9-15-19(17(10-11)33(29,30)31)25-21(23-15)13-7-5-12(6-8-13)20-22-14-3-2-4-16(18(14)24-20)32(26,27)28/h2-10H,1H3,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)