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

Systemtic Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Openeye Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid CAS Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid IUPAC Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Traditional Name: 6-methyl-2-[4-(6-methyl-4-sulfo-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole-4-sulfonic acid Formula: C22H18N4O6S2 MolecularWeight: 498.53152

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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=C(C=C5S(=O)(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O6S2/c1-11-7-15-19(17(9-11)33(27,28)29)25-21(23-15)13-3-5-14(6-4-13)22-24-16-8-12(2)10-18(20(16)26-22)34(30,31)32/h3-10H,1-2H3,(H,23,25)(H,24,26)(H,27,28,29)(H,30,31,32)