2-[4-(6-methyl-1H-benzimidazol-2-yl)-3-(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-3-(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-3-(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-3-(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-3-(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[4-(6-methyl-1H-benzimidazol-2-yl)-3-(6-sulfinooxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid Formula: C28H20N6O6S2 MolecularWeight: 600.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)OS(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C3=C(C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)S(=O)(=O)O)C6=NC7=C(N6)C=C(C=C7)OS(=O)O

InChI

InChI=1S/C28H20N6O6S2/c1-14-2-7-20-23(10-14)33-27(30-20)18-6-3-15(26-29-22-9-5-17(42(37,38)39)13-25(22)32-26)11-19(18)28-31-21-8-4-16(40-41(35)36)12-24(21)34-28/h2-13H,1H3,(H,29,32)(H,30,33)(H,31,34)(H,35,36)(H,37,38,39)